8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one

C23H26N8O — CID 71129330

IUPAC8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(Nc3ccc(N4CCNCC4)cc3)nc21
InChIInChI=1S/C23H26N8O/c1-3-31-21-18(14-19(22(31)32)20-8-9-25-29-20)15(2)26-23(28-21)27-16-4-6-17(7-5-16)30-12-10-24-11-13-30/h4-9,14,24H,3,10-13H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyDLOQYGXOPXQHGW-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.66
Rot. Bonds5

About 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71129330) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID71129330
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(Nc3ccc(N4CCNCC4)cc3)nc21
InChIInChI=1S/C23H26N8O/c1-3-31-21-18(14-19(22(31)32)20-8-9-25-29-20)15(2)26-23(28-21)27-16-4-6-17(7-5-16)30-12-10-24-11-13-30/h4-9,14,24H,3,10-13H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyDLOQYGXOPXQHGW-UHFFFAOYSA-N
XLogP2.66
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3-dihydrofuran-3-yl)-8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71131660
2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one
CID 69009267
6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 25096679
2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-8-propyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 69012955
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
2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid
CID 158313133
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70934138
9-pentan-3-yl-2-(4-piperazin-1-ylanilino)-7H-purin-8-one
CID 58016031
6-(4-methyl-2-piperidin-4-ylpyrimidin-5-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 90213085
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1H-pyrazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934521
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-methyl-4-piperidin-4-yl-4H-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 123648115
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one (CID 71129330) is 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(Nc3ccc(N4CCNCC4)cc3)nc21.
What is the InChIKey of 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DLOQYGXOPXQHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-3-31-21-18(14-19(22(31)32)20-8-9-25-29-20)15(2)26-23(28-21)27-16-4-6-17(7-5-16)30-12-10-24-11-13-30/h4-9,14,24H,3,10-13H2,1-2H3,(H,25,29)(H,26,27,28).
What are the key properties of 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 430.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71129330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).