2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one

C29H34N6O — CID 69009267

IUPAC2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)c(-c2ccccc2)cc2c(C)nc(Nc3ccc(N4CCN(CC)CC4)cc3)nc21
InChIInChI=1S/C29H34N6O/c1-4-15-35-27-25(20-26(28(35)36)22-9-7-6-8-10-22)21(3)30-29(32-27)31-23-11-13-24(14-12-23)34-18-16-33(5-2)17-19-34/h6-14,20H,4-5,15-19H2,1-3H3,(H,30,31,32)
InChIKeyCCNABHHWAIULFH-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.06
Rot. Bonds7

About 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one

2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 69009267) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one
PubChem CID69009267
Molecular FormulaC29H34N6O
Molecular Weight482.63 g/mol
Exact Mass482.28
IUPAC Name2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)c(-c2ccccc2)cc2c(C)nc(Nc3ccc(N4CCN(CC)CC4)cc3)nc21
InChIInChI=1S/C29H34N6O/c1-4-15-35-27-25(20-26(28(35)36)22-9-7-6-8-10-22)21(3)30-29(32-27)31-23-11-13-24(14-12-23)34-18-16-33(5-2)17-19-34/h6-14,20H,4-5,15-19H2,1-3H3,(H,30,31,32)
InChIKeyCCNABHHWAIULFH-UHFFFAOYSA-N
XLogP5.06
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-8-propyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 69012955
8-ethyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
CID 71129330
8-ethyl-2-[[5-(4-ethylpiperazin-1-yl)-2-bicyclo[4.1.0]hepta-1,3,5-trienyl]amino]-6-(3-fluorophenyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 143628649
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-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 91527858
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934528
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
6-(4-cyclopenta-1,3-dien-1-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934165
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
6-[4-(4-ethylpiperazin-1-yl)anilino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167968460
6-phenyl-3-[4-(4-propylpiperazin-1-yl)anilino]-4H-1,2,4-triazin-5-one
CID 136779454
benzene;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159793843

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one (CID 69009267) is 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one is CCCn1c(=O)c(-c2ccccc2)cc2c(C)nc(Nc3ccc(N4CCN(CC)CC4)cc3)nc21.
What is the InChIKey of 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CCNABHHWAIULFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-4-15-35-27-25(20-26(28(35)36)22-9-7-6-8-10-22)21(3)30-29(32-27)31-23-11-13-24(14-12-23)34-18-16-33(5-2)17-19-34/h6-14,20H,4-5,15-19H2,1-3H3,(H,30,31,32).
What are the key properties of 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one?
2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 482.63 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-6-phenyl-8-propylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 69009267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).