N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide

C22H22N4O — CID 56866475

IUPACN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccn(C)n2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C22H22N4O/c1-14-11-17(13-23-22(27)19-9-10-26(3)25-19)21-18(12-14)15(2)20(24-21)16-7-5-4-6-8-16/h4-12,24H,13H2,1-3H3,(H,23,27)
InChIKeySNJPSAXILLYPEV-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.12
Rot. Bonds4

About N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide

N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 56866475) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID56866475
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccn(C)n2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C22H22N4O/c1-14-11-17(13-23-22(27)19-9-10-26(3)25-19)21-18(12-14)15(2)20(24-21)16-7-5-4-6-8-16/h4-12,24H,13H2,1-3H3,(H,23,27)
InChIKeySNJPSAXILLYPEV-UHFFFAOYSA-N
XLogP4.12
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-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-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide (CID 56866475) is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide is Cc1cc(CNC(=O)c2ccn(C)n2)c2[nH]c(-c3ccccc3)c(C)c2c1.
What is the InChIKey of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is SNJPSAXILLYPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-11-17(13-23-22(27)19-9-10-26(3)25-19)21-18(12-14)15(2)20(24-21)16-7-5-4-6-8-16/h4-12,24H,13H2,1-3H3,(H,23,27).
What are the key properties of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide?
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 56866475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).