4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C23H31N5 — CID 24797903

IUPAC4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1cccc(CN2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)c1
InChIInChI=1S/C23H31N5/c1-18-4-2-5-19(14-18)15-26-9-8-21-22(16-26)24-17-25-23(21)28-12-10-27(11-13-28)20-6-3-7-20/h2,4-5,14,17,20H,3,6-13,15-16H2,1H3
InChIKeyBHHCDJCWUAMAJW-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.02
Rot. Bonds4

About 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24797903) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24797903
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1cccc(CN2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)c1
InChIInChI=1S/C23H31N5/c1-18-4-2-5-19(14-18)15-26-9-8-21-22(16-26)24-17-25-23(21)28-12-10-27(11-13-28)20-6-3-7-20/h2,4-5,14,17,20H,3,6-13,15-16H2,1H3
InChIKeyBHHCDJCWUAMAJW-UHFFFAOYSA-N
XLogP3.02
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24797903) is 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1cccc(CN2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)c1.
What is the InChIKey of 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is BHHCDJCWUAMAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-18-4-2-5-19(14-18)15-26-9-8-21-22(16-26)24-17-25-23(21)28-12-10-27(11-13-28)20-6-3-7-20/h2,4-5,14,17,20H,3,6-13,15-16H2,1H3.
What are the key properties of 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 377.54 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24797903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).