4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide

C23H29N9O — CID 10204086

IUPAC4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3n2)CC1
InChIInChI=1S/C23H29N9O/c1-30-12-14-32(15-13-30)23(33)28-20-7-2-17-16-25-22(29-21(17)27-20)26-18-3-5-19(6-4-18)31-10-8-24-9-11-31/h2-7,16,24H,8-15H2,1H3,(H2,25,26,27,28,29,33)
InChIKeyFTZPYSIBTYNADH-UHFFFAOYSA-N
MW447.55 g/mol
LogP1.96
Rot. Bonds4

About 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide

4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide (PubChem CID 10204086) has the molecular formula C23H29N9O and a molecular weight of 447.55 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide
PubChem CID10204086
Molecular FormulaC23H29N9O
Molecular Weight447.55 g/mol
Exact Mass447.25
IUPAC Name4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3n2)CC1
InChIInChI=1S/C23H29N9O/c1-30-12-14-32(15-13-30)23(33)28-20-7-2-17-16-25-22(29-21(17)27-20)26-18-3-5-19(6-4-18)31-10-8-24-9-11-31/h2-7,16,24H,8-15H2,1H3,(H2,25,26,27,28,29,33)
InChIKeyFTZPYSIBTYNADH-UHFFFAOYSA-N
XLogP1.96
TPSA101.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

[5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 10293038
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxamide
CID 171546237
1-tert-butyl-3-[6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 10138032
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
6-acetyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrano[2,3-d]pyrimidin-7-one
CID 151440366
tert-butyl 4-[4-[[7-[[(3S)-5-hydroxy-3-methylpentyl]carbamoylamino]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate
CID 70112210
N-(4-carbamoylphenyl)-4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 154637083
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
1-[6-cyano-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-cyclohexylurea
CID 10183766

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide (CID 10204086) is 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3n2)CC1.
What is the InChIKey of 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide?
The InChIKey is FTZPYSIBTYNADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O/c1-30-12-14-32(15-13-30)23(33)28-20-7-2-17-16-25-22(29-21(17)27-20)26-18-3-5-19(6-4-18)31-10-8-24-9-11-31/h2-7,16,24H,8-15H2,1H3,(H2,25,26,27,28,29,33).
What are the key properties of 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide?
4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide has a molecular weight of 447.55 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide is sourced from PubChem (CID 10204086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).