6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one

C27H26ClF2N7O3 — CID 127052178

IUPAC6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nccn(-c2ccc(-c3cc4cnc(NC5COC5)nc4n(CC4CCNCC4(F)F)c3=O)c(Cl)c2)c1=O
InChIInChI=1S/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)
InChIKeySNHDCUDTVCJVGD-UHFFFAOYSA-N
MW570.00 g/mol
LogP3.02
Rot. Bonds6

About 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 127052178) has the molecular formula C27H26ClF2N7O3 and a molecular weight of 570.00 g/mol. Its IUPAC name is 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID127052178
Molecular FormulaC27H26ClF2N7O3
Molecular Weight570.00 g/mol
Exact Mass569.18
IUPAC Name6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nccn(-c2ccc(-c3cc4cnc(NC5COC5)nc4n(CC4CCNCC4(F)F)c3=O)c(Cl)c2)c1=O
InChIInChI=1S/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)
InChIKeySNHDCUDTVCJVGD-UHFFFAOYSA-N
XLogP3.02
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.00
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-[(Trans-4-Aminocyclohexyl)methyl]-6-[2-chloro-4-(3-fluoro-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 162642759
8-[(Trans-5-Amino-1,3-Dioxan-2-Yl)methyl]-6-[2-Chloro-4-(6-Methylpyridin-2-Yl)phenyl]-2-(Methylamino)pyrido[2,3-D]pyrimidin-7(8h)-One
CID 91664373
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327877
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890
6-(2,6-dichlorophenyl)-8-methyl-2-[(4-methylphenyl)amino]-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327893
3-(2,6-Dichlorophenyl)-1-methyl-7-{[3-(morpholin-4-yl)propyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328710
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(morpholin-4-yl)butyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328711
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(morpholin-4-yl)phenyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328721
PD-173952
CID 5328733
Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-((4-fluorophenyl)amino)-8-methyl-
CID 5330524

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 127052178) is 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1nccn(-c2ccc(-c3cc4cnc(NC5COC5)nc4n(CC4CCNCC4(F)F)c3=O)c(Cl)c2)c1=O.
What is the InChIKey of 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SNHDCUDTVCJVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35).
What are the key properties of 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 570.00 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(3-methyl-2-oxopyrazin-1-yl)phenyl]-8-[(3,3-difluoropiperidin-4-yl)methyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127052178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).