1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone

C24H31N7O — CID 130378536

IUPAC1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)C1=C(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2N(C2CCCC2)C1
InChIInChI=1S/C24H31N7O/c1-16-20-14-27-24(28-22-8-7-19(13-26-22)30-11-9-25-10-12-30)29-23(20)31(15-21(16)17(2)32)18-5-3-4-6-18/h7-8,13-14,18,25H,3-6,9-12,15H2,1-2H3,(H,26,27,28,29)
InChIKeyMWANBLRXAQSWIK-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.15
Rot. Bonds5

About 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone

1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 130378536) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID130378536
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)C1=C(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2N(C2CCCC2)C1
InChIInChI=1S/C24H31N7O/c1-16-20-14-27-24(28-22-8-7-19(13-26-22)30-11-9-25-10-12-30)29-23(20)31(15-21(16)17(2)32)18-5-3-4-6-18/h7-8,13-14,18,25H,3-6,9-12,15H2,1-2H3,(H,26,27,28,29)
InChIKeyMWANBLRXAQSWIK-UHFFFAOYSA-N
XLogP3.15
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone 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
(E)-1-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]-2-methylbut-2-en-1-one
CID 163734758
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 10128284
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
CID 138059460
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
1-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]-3,3,3-trideuteriopropan-1-one
CID 147255708
8-cyclopentyl-10-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300068
8-cyclopentyl-5-ethyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7H-pteridin-6-one
CID 162655779
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
CID 10248532
3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one
CID 135286405
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868

Frequently Asked Questions

What is the IUPAC name of 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone (CID 130378536) is 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)C1=C(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2N(C2CCCC2)C1.
What is the InChIKey of 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is MWANBLRXAQSWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-16-20-14-27-24(28-22-8-7-19(13-26-22)30-11-9-25-10-12-30)29-23(20)31(15-21(16)17(2)32)18-5-3-4-6-18/h7-8,13-14,18,25H,3-6,9-12,15H2,1-2H3,(H,26,27,28,29).
What are the key properties of 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone?
1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 433.56 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 130378536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).