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

C25H30N6O2 — CID 5330301

IUPAC6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCCCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H30N6O2/c1-16-20-15-27-25(28-21-11-10-19(14-26-21)30-12-6-3-7-13-30)29-23(20)31(18-8-4-5-9-18)24(33)22(16)17(2)32/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(H,26,27,28,29)
InChIKeyHOSSGPJLIMSTBP-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.55
Rot. Bonds5

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

6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330301) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330301
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCCCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H30N6O2/c1-16-20-15-27-25(28-21-11-10-19(14-26-21)30-12-6-3-7-13-30)29-23(20)31(18-8-4-5-9-18)24(33)22(16)17(2)32/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(H,26,27,28,29)
InChIKeyHOSSGPJLIMSTBP-UHFFFAOYSA-N
XLogP4.55
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[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
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
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. 39
CID 5330225
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
CID 5330231
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 64
CID 5330250
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65
CID 5330251
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330301) is 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCCCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HOSSGPJLIMSTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16-20-15-27-25(28-21-11-10-19(14-26-21)30-12-6-3-7-13-30)29-23(20)31(18-8-4-5-9-18)24(33)22(16)17(2)32/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(H,26,27,28,29).
What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 446.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).