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Chemistry

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Also known as: Mk-6240, 1841078-87-2, 800u03334f, 5-isoquinolinamine, 6-fluoro-3-(1h-pyrrolo(2,3-c)pyridin-1-yl)-, Florquinitau, Chembl4804173
Molecular Formula
C16H11FN4
Molecular Weight
278.28  g/mol
InChI Key
KAXAUWZJVWGFDO-UHFFFAOYSA-N
FDA UNII
800U03334F

Mk-6240
1 2D Structure

Mk-6240

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
2.1.2 InChI
InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2
2.1.3 InChI Key
KAXAUWZJVWGFDO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C2=CC(=NC=C21)N3C=CC4=C3C=NC=C4)N)F
2.2 Other Identifiers
2.2.1 UNII
800U03334F
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 6-(fluoro)-3-(1h-pyrrolo(2,3-c)pyridin-1-yl)isoquinolin-5-amine

2. Mk-6240

2.3.2 Depositor-Supplied Synonyms

1. Mk-6240

2. 1841078-87-2

3. 800u03334f

4. 5-isoquinolinamine, 6-fluoro-3-(1h-pyrrolo(2,3-c)pyridin-1-yl)-

5. Florquinitau

6. Chembl4804173

7. Schembl17336507

8. Bdbm281567

9. Unii-800u03334f

10. Us10022461, Compound 18

11. Hy-101186

12. Cs-0020954

13. Q27269098

2.4 Create Date
2016-02-23
3 Chemical and Physical Properties
Molecular Weight 278.28 g/mol
Molecular Formula C16H11FN4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass278.09677453 g/mol
Monoisotopic Mass278.09677453 g/mol
Topological Polar Surface Area56.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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