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

C24H29N7O2 — CID 86297198

IUPAC6-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
SMILES[2H]C1([2H])CN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CC([2H])([2H])C([2H])([2H])C5)c4n3)nc2)CC([2H])([2H])N1
InChIInChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)/i3D2,4D2,9D2,10D2
InChIKeyAHJRHEGDXFFMBM-HCBSKQLLSA-N
MW455.59 g/mol
LogP2.97
Rot. Bonds5

About 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

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 (PubChem CID 86297198) has the molecular formula C24H29N7O2 and a molecular weight of 455.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID86297198
Molecular FormulaC24H29N7O2
Molecular Weight455.59 g/mol
Exact Mass455.29
IUPAC Name6-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
SMILES[2H]C1([2H])CN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CC([2H])([2H])C([2H])([2H])C5)c4n3)nc2)CC([2H])([2H])N1
InChIInChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)/i3D2,4D2,9D2,10D2
InChIKeyAHJRHEGDXFFMBM-HCBSKQLLSA-N
XLogP2.97
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.59
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-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
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-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
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
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
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-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-2-[[5-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 171358775

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C1([2H])CN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CC([2H])([2H])C([2H])([2H])C5)c4n3)nc2)CC([2H])([2H])N1.
What is the InChIKey of 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?
The InChIKey is AHJRHEGDXFFMBM-HCBSKQLLSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)/i3D2,4D2,9D2,10D2.
What are the key properties of 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?
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 has a molecular weight of 455.59 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 86297198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).