6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

C24H27F2N7O2 — CID 145063271

IUPAC6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n([C@H]2CCCC2(F)F)c1=O
InChIInChI=1S/C24H27F2N7O2/c1-14-17-13-29-23(30-19-6-5-16(12-28-19)32-10-8-27-9-11-32)31-21(17)33(22(35)20(14)15(2)34)18-4-3-7-24(18,25)26/h5-6,12-13,18,27H,3-4,7-11H2,1-2H3,(H,28,29,30,31)/t18-/m0/s1
InChIKeyDGLVVQBUYXVALS-SFHVURJKSA-N
MW483.52 g/mol
LogP3.21
Rot. Bonds5

About 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 145063271) has the molecular formula C24H27F2N7O2 and a molecular weight of 483.52 g/mol. Its IUPAC name is 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID145063271
Molecular FormulaC24H27F2N7O2
Molecular Weight483.52 g/mol
Exact Mass483.22
IUPAC Name6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n([C@H]2CCCC2(F)F)c1=O
InChIInChI=1S/C24H27F2N7O2/c1-14-17-13-29-23(30-19-6-5-16(12-28-19)32-10-8-27-9-11-32)31-21(17)33(22(35)20(14)15(2)34)18-4-3-7-24(18,25)26/h5-6,12-13,18,27H,3-4,7-11H2,1-2H3,(H,28,29,30,31)/t18-/m0/s1
InChIKeyDGLVVQBUYXVALS-SFHVURJKSA-N
XLogP3.21
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-(2,2-difluorocyclopentyl)-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carbaldehyde
CID 145063259
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-(2,2,5,5-tetradeuteriocyclopentyl)pyrido[2,3-d]pyrimidin-7-one
CID 86296420
6-acetyl-8-(2-bicyclo[3.1.0]hexanyl)-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 145063301
6-acetyl-8-cyclopentyl-2-[[5-[4-[(4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 176736901
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
6-acetyl-8-cyclopentyl-2-[[5-(2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 129276109
6-acetyl-5-methyl-8-(3,3,4,4-tetradeuteriocyclopentyl)-2-[[5-(3,3,5,5-tetradeuteriopiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 86297198
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]benzaldehyde
CID 129276161
6-acetyl-2-[[5-[4-(4-acetylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699829
6-acetyl-2-[[5-(3-aminopyrrolidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330299

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 145063271) is 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n([C@H]2CCCC2(F)F)c1=O.
What is the InChIKey of 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DGLVVQBUYXVALS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27F2N7O2/c1-14-17-13-29-23(30-19-6-5-16(12-28-19)32-10-8-27-9-11-32)31-21(17)33(22(35)20(14)15(2)34)18-4-3-7-24(18,25)26/h5-6,12-13,18,27H,3-4,7-11H2,1-2H3,(H,28,29,30,31)/t18-/m0/s1.
What are the key properties of 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 483.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-[(1S)-2,2-difluorocyclopentyl]-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 145063271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).