6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C25H29N7O2 — CID 145063342

IUPAC6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CC5CC4CN5)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H29N7O2/c1-14-20-12-28-25(29-21-8-7-18(10-27-21)31-13-16-9-19(31)11-26-16)30-23(20)32(17-5-3-4-6-17)24(34)22(14)15(2)33/h7-8,10,12,16-17,19,26H,3-6,9,11,13H2,1-2H3,(H,27,28,29,30)
InChIKeyCDGWCCHVRQDVGM-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.11
Rot. Bonds5

About 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 145063342) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID145063342
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CC5CC4CN5)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H29N7O2/c1-14-20-12-28-25(29-21-8-7-18(10-27-21)31-13-16-9-19(31)11-26-16)30-23(20)32(17-5-3-4-6-17)24(34)22(14)15(2)33/h7-8,10,12,16-17,19,26H,3-6,9,11,13H2,1-2H3,(H,27,28,29,30)
InChIKeyCDGWCCHVRQDVGM-UHFFFAOYSA-N
XLogP3.11
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

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-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
6-acetyl-2-[[5-(3-aminopyrrolidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330299
6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 145063331
3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
CID 178071364
1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]azetidin-3-yl]piperidine-4-carboxylic acid
CID 118699885
6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 118699872
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-8-cyclopentyl-2-[[5-[(2R)-4-(1,4-dimethylpiperidin-4-yl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699832
phenyl 4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 178071479

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 145063342) is 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CC5CC4CN5)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CDGWCCHVRQDVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-14-20-12-28-25(29-21-8-7-18(10-27-21)31-13-16-9-19(31)11-26-16)30-23(20)32(17-5-3-4-6-17)24(34)22(14)15(2)33/h7-8,10,12,16-17,19,26H,3-6,9,11,13H2,1-2H3,(H,27,28,29,30).
What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 459.55 g/mol, XLogP of 3.11, 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-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 145063342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).