6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C25H30N6O2 — CID 118856913

IUPAC6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN1CCc2nc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)ccc2C1
InChIInChI=1S/C25H30N6O2/c1-4-30-12-11-20-17(14-30)9-10-21(27-20)28-25-26-13-19-15(2)22(16(3)32)24(33)31(23(19)29-25)18-7-5-6-8-18/h9-10,13,18H,4-8,11-12,14H2,1-3H3,(H,26,27,28,29)
InChIKeyWVUFXUDMPNYSDC-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.93
Rot. Bonds5

About 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 118856913) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID118856913
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN1CCc2nc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)ccc2C1
InChIInChI=1S/C25H30N6O2/c1-4-30-12-11-20-17(14-30)9-10-21(27-20)28-25-26-13-19-15(2)22(16(3)32)24(33)31(23(19)29-25)18-7-5-6-8-18/h9-10,13,18H,4-8,11-12,14H2,1-3H3,(H,26,27,28,29)
InChIKeyWVUFXUDMPNYSDC-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide
CID 129276136
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118695579
tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate
CID 129072579
6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856872
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-(2-aminoethylamino)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 22329976
6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone
CID 159496298
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
N-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-N-methylacetamide
CID 22329907
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
6-acetyl-2-[[5-(3-aminopyrrolidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330299
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

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 118856913) is 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CCN1CCc2nc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)ccc2C1.
What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WVUFXUDMPNYSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-4-30-12-11-20-17(14-30)9-10-21(27-20)28-25-26-13-19-15(2)22(16(3)32)24(33)31(23(19)29-25)18-7-5-6-8-18/h9-10,13,18H,4-8,11-12,14H2,1-3H3,(H,26,27,28,29).
What are the key properties of 6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 446.56 g/mol, XLogP of 3.93, 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-2-[(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118856913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).