8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one

C24H30N6O — CID 91144575

IUPAC8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
SMILESCN1CCN(c2ccc(Nc3ncc4c(=O)ccn(C5CCCCC5)c4n3)cc2)CC1
InChIInChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-21-22(31)11-12-30(23(21)27-24)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3,(H,25,26,27)
InChIKeyNRXVWEZIHUYCKV-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.79
Rot. Bonds4

About 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one

8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one (PubChem CID 91144575) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
PubChem CID91144575
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
SMILESCN1CCN(c2ccc(Nc3ncc4c(=O)ccn(C5CCCCC5)c4n3)cc2)CC1
InChIInChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-21-22(31)11-12-30(23(21)27-24)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3,(H,25,26,27)
InChIKeyNRXVWEZIHUYCKV-UHFFFAOYSA-N
XLogP3.79
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-cyclopentyl-5-methyl-N-(4-piperidin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58015910
1-[4-[4-[(4-amino-7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 71244224
6-(4-chlorophenyl)sulfonyl-8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 53253064
8-(1-cyclohexylpropyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 18374893
8-cyclohexyl-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 137436787
7-(2-bicyclo[2.2.1]heptanyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646629
8-(4-methylcyclohexyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 18374881
5-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 171547233
N-[4-fluoro-3-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
CID 122475371
8-cyclopentyl-2-[4-(3-hydroxypyrrolidin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330345
7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58015759
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one (CID 91144575) is 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one is CN1CCN(c2ccc(Nc3ncc4c(=O)ccn(C5CCCCC5)c4n3)cc2)CC1.
What is the InChIKey of 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is NRXVWEZIHUYCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-21-22(31)11-12-30(23(21)27-24)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3,(H,25,26,27).
What are the key properties of 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one?
8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 418.55 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 91144575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).