1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide

C25H24N6O — CID 42364398

IUPAC1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCc2ccncc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C25H24N6O/c1-17-22(24(32)27-12-4-5-18-10-13-26-14-11-18)16-29-31(17)25-28-15-20-9-8-19-6-2-3-7-21(19)23(20)30-25/h2-3,6-7,10-11,13-16H,4-5,8-9,12H2,1H3,(H,27,32)
InChIKeyCWVNSMSVAURNQA-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.49
Rot. Bonds6

About 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide

1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide (PubChem CID 42364398) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide
PubChem CID42364398
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCc2ccncc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C25H24N6O/c1-17-22(24(32)27-12-4-5-18-10-13-26-14-11-18)16-29-31(17)25-28-15-20-9-8-19-6-2-3-7-21(19)23(20)30-25/h2-3,6-7,10-11,13-16H,4-5,8-9,12H2,1H3,(H,27,32)
InChIKeyCWVNSMSVAURNQA-UHFFFAOYSA-N
XLogP3.49
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide 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 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide (CID 42364398) is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCCc2ccncc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2.
What is the InChIKey of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is CWVNSMSVAURNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-17-22(24(32)27-12-4-5-18-10-13-26-14-11-18)16-29-31(17)25-28-15-20-9-8-19-6-2-3-7-21(19)23(20)30-25/h2-3,6-7,10-11,13-16H,4-5,8-9,12H2,1H3,(H,27,32).
What are the key properties of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide?
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42364398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).