6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one

C25H29N9O2 — CID 118856883

IUPAC6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc4nc(N5CCNCC5)cn4n3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H29N9O2/c1-15-18-13-27-25(30-23(18)34(17-5-3-4-6-17)24(36)22(15)16(2)35)28-19-7-8-20-29-21(14-33(20)31-19)32-11-9-26-10-12-32/h7-8,13-14,17,26H,3-6,9-12H2,1-2H3,(H,27,28,30,31)
InChIKeySORCMTHCSMQLRH-UHFFFAOYSA-N
MW487.57 g/mol
LogP2.61
Rot. Bonds5

About 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118856883) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID118856883
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc4nc(N5CCNCC5)cn4n3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H29N9O2/c1-15-18-13-27-25(30-23(18)34(17-5-3-4-6-17)24(36)22(15)16(2)35)28-19-7-8-20-29-21(14-33(20)31-19)32-11-9-26-10-12-32/h7-8,13-14,17,26H,3-6,9-12H2,1-2H3,(H,27,28,30,31)
InChIKeySORCMTHCSMQLRH-UHFFFAOYSA-N
XLogP2.61
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[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-cyclohexyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166879305
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
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
6-acetyl-8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856900
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-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118695579
6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 118699852
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

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 118856883) is 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc4nc(N5CCNCC5)cn4n3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SORCMTHCSMQLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-15-18-13-27-25(30-23(18)34(17-5-3-4-6-17)24(36)22(15)16(2)35)28-19-7-8-20-29-21(14-33(20)31-19)32-11-9-26-10-12-32/h7-8,13-14,17,26H,3-6,9-12H2,1-2H3,(H,27,28,30,31).
What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 487.57 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118856883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).