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CHEMISTRY
Discover Molecule Insights

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2 Drugs in Development

2 Drugs in Development

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Chemistry

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Also known as: Oric-944, Schembl22942812, Mrtx-2219, Bdbm513671, Ex-a8833, Us11091495, example 173

Molecular Formula

C₂₆H₂₅FN₆O

Molecular Weight

456.5 g/mol

InChI Key

FLCIOLFIDGTRCI-UHFFFAOYSA-N

1 2D Structure

ORIC-944

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-[4-[(dimethylamino)methyl]-2-methylphenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

2.1.2 InChI

InChI=1S/C26H25FN6O/c1-16-10-17(14-32(2)3)4-5-19(16)22-13-30-26(33-15-18(11-28)31-25(22)33)29-12-21-20-8-9-34-24(20)7-6-23(21)27/h4-7,10,13,15H,8-9,12,14H2,1-3H3,(H,29,30)

2.1.3 InChI Key

FLCIOLFIDGTRCI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)CN(C)C)C2=CN=C(N3C2=NC(=C3)C#N)NCC4=C(C=CC5=C4CCO5)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Oric-944

2. Schembl22942812

3. Mrtx-2219

4. Bdbm513671

5. Ex-a8833

6. Us11091495, Example 173

7. Us11091495, Example 202

8. Us11091495, Example 223

9. Hy-158102

10. Cs-1047379

11. 2369769-29-7

12. Imidazo[1,2-c]pyrimidine-2-carbonitrile, 8-[4-[(dimethylamino)methyl]-2-methylphenyl]-5-[[(5-fluoro-2,3-dihydro-4-benzofuranyl)methyl]amino]-

2.3 Create Date

2021-02-22

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₅FN₆O
Molecular Weight	456.5 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	78.5
Heavy Atom Count	34
Formal Charge	0
Complexity	744
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1