6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C23H27BrN6O — CID 25096679

IUPAC6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(Nc2ccc(N3CCNCC3)cc2)nc2c1cc(Br)c(=O)n2C1CCCC1
InChIInChI=1S/C23H27BrN6O/c1-15-19-14-20(24)22(31)30(18-4-2-3-5-18)21(19)28-23(26-15)27-16-6-8-17(9-7-16)29-12-10-25-11-13-29/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,26,27,28)
InChIKeyCGKUTAAFNPEDSJ-UHFFFAOYSA-N
MW483.41 g/mol
LogP4.13
Rot. Bonds4

About 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 25096679) has the molecular formula C23H27BrN6O and a molecular weight of 483.41 g/mol. Its IUPAC name is 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID25096679
Molecular FormulaC23H27BrN6O
Molecular Weight483.41 g/mol
Exact Mass482.14
IUPAC Name6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(Nc2ccc(N3CCNCC3)cc2)nc2c1cc(Br)c(=O)n2C1CCCC1
InChIInChI=1S/C23H27BrN6O/c1-15-19-14-20(24)22(31)30(18-4-2-3-5-18)21(19)28-23(26-15)27-16-6-8-17(9-7-16)29-12-10-25-11-13-29/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,26,27,28)
InChIKeyCGKUTAAFNPEDSJ-UHFFFAOYSA-N
XLogP4.13
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;dihydrochloride
CID 68605600
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 25096434
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878
5-cyclopentyl-3-(4-piperazin-1-ylanilino)-7-propoxypyrido[2,3-e][1,2,4]triazin-6-one
CID 10138745
7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 59290955
6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71131660
8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
CID 71129330
2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67240606
6-bromo-8-cyclopentyl-5-methyl-2-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10166653
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
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 25096679) is 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(Nc2ccc(N3CCNCC3)cc2)nc2c1cc(Br)c(=O)n2C1CCCC1.
What is the InChIKey of 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CGKUTAAFNPEDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN6O/c1-15-19-14-20(24)22(31)30(18-4-2-3-5-18)21(19)28-23(26-15)27-16-6-8-17(9-7-16)29-12-10-25-11-13-29/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,26,27,28).
What are the key properties of 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 483.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25096679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).