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CHEMISTRY
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1 Drugs in Development

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Chemistry

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Also known as: 2455427-91-3, Azd-0780, 1-[6-[[(1s,3s)-3-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]cyclopentyl]amino]pyridin-3-yl]pyridin-2-one, Schembl22241911, Gtpl13419, Azd0780

Molecular Formula

C₂₀H₂₀F₂N₆O₂

Molecular Weight

414.4 g/mol

InChI Key

NCHUWRLOTSAFFN-KBPBESRZSA-N

1 2D Structure

AZD0780

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[6-[[(1S,3S)-3-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]cyclopentyl]amino]pyridin-3-yl]pyridin-2-one

2.1.2 InChI

InChI=1S/C20H20F2N6O2/c21-19(22)30-16-11-24-20(25-12-16)27-14-5-4-13(9-14)26-17-7-6-15(10-23-17)28-8-2-1-3-18(28)29/h1-3,6-8,10-14,19H,4-5,9H2,(H,23,26)(H,24,25,27)/t13-,14-/m0/s1

2.1.3 InChI Key

NCHUWRLOTSAFFN-KBPBESRZSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2455427-91-3

2. Azd-0780

3. 1-[6-[[(1s,3s)-3-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]cyclopentyl]amino]pyridin-3-yl]pyridin-2-one

4. Schembl22241911

5. Gtpl13419

6. Azd0780

7. Nchuwrlotsaffn-kbpbesrzsa-n

8. Bdbm537931

9. Ex-a6975

10. Us11248001, Example 458b

11. Example 458b [us11248001b2]

12. Da-76642

13. Ms-27171

14. Hy-148673

15. Cs-0636856

2.3 Create Date

2020-09-28

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₀F₂N₆O₂
Molecular Weight	414.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	92.3
Heavy Atom Count	30
Formal Charge	0
Complexity	641
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1