6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C25H31N7O2 — CID 5330300

IUPAC6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H31N7O2/c1-16-20-15-28-25(29-21-9-8-19(14-27-21)31-12-5-10-26-11-13-31)30-23(20)32(18-6-3-4-7-18)24(34)22(16)17(2)33/h8-9,14-15,18,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30)
InChIKeyALEYUGRGWDAOKK-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.36
Rot. Bonds5

About 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330300) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330300
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H31N7O2/c1-16-20-15-28-25(29-21-9-8-19(14-27-21)31-12-5-10-26-11-13-31)30-23(20)32(18-6-3-4-7-18)24(34)22(16)17(2)33/h8-9,14-15,18,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30)
InChIKeyALEYUGRGWDAOKK-UHFFFAOYSA-N
XLogP3.36
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

Palbociclib
CID 5330286
Narazaciclib
CID 56649281
Dalpiciclib
CID 86279927
Palbociclib hydrochloride
CID 11431660
Dipyridodiazepinone deriv. 21
CID 463148
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
CID 5330231
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 68
CID 5330254
8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260
8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330261
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 5330300) is 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCCNCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ALEYUGRGWDAOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-16-20-15-28-25(29-21-9-8-19(14-27-21)31-12-5-10-26-11-13-31)30-23(20)32(18-6-3-4-7-18)24(34)22(16)17(2)33/h8-9,14-15,18,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30).
What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 461.57 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).