N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C29H27N5O — CID 118933235

IUPACN-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(-c2ccccc2)c2c1CN(Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C29H27N5O/c35-29(31-17-21-9-3-1-4-10-21)28-25-20-33(19-22-18-30-26-14-8-7-13-24(22)26)16-15-27(25)34(32-28)23-11-5-2-6-12-23/h1-14,18,30H,15-17,19-20H2,(H,31,35)
InChIKeyUWGABZHMEAADOQ-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.84
Rot. Bonds6

About N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933235) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933235
Molecular FormulaC29H27N5O
Molecular Weight461.57 g/mol
Exact Mass461.22
IUPAC NameN-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(-c2ccccc2)c2c1CN(Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C29H27N5O/c35-29(31-17-21-9-3-1-4-10-21)28-25-20-33(19-22-18-30-26-14-8-7-13-24(22)26)16-15-27(25)34(32-28)23-11-5-2-6-12-23/h1-14,18,30H,15-17,19-20H2,(H,31,35)
InChIKeyUWGABZHMEAADOQ-UHFFFAOYSA-N
XLogP4.84
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-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 N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933235) is N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1ccccc1)c1nn(-c2ccccc2)c2c1CN(Cc1c[nH]c3ccccc13)CC2.
What is the InChIKey of N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UWGABZHMEAADOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c35-29(31-17-21-9-3-1-4-10-21)28-25-20-33(19-22-18-30-26-14-8-7-13-24(22)26)16-15-27(25)34(32-28)23-11-5-2-6-12-23/h1-14,18,30H,15-17,19-20H2,(H,31,35).
What are the key properties of N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1H-indol-3-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).