2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide

C24H22N6O — CID 136016409

IUPAC2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide
SMILESCN1C=NC=C1CNC(=O)C2=CC3=C(C=C2)C=C(N3)C4=NNC(=C4)CC5=CC=CC=C5
InChIInChI=1S/C24H22N6O/c1-30-15-25-13-20(30)14-26-24(31)18-8-7-17-10-22(27-21(17)11-18)23-12-19(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-13,15,27H,9,14H2,1H3,(H,26,31)(H,28,29)
InChIKeyDDKMQUXLSUUYKL-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.90
Rot. Bonds6

About 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide

2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide (PubChem CID 136016409) has the molecular formula C24H22N6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide
PubChem CID136016409
Molecular FormulaC24H22N6O
Molecular Weight410.50 g/mol
Exact Mass410.19
IUPAC Name2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide
SMILESCN1C=NC=C1CNC(=O)C2=CC3=C(C=C2)C=C(N3)C4=NNC(=C4)CC5=CC=CC=C5
InChIInChI=1S/C24H22N6O/c1-30-15-25-13-20(30)14-26-24(31)18-8-7-17-10-22(27-21(17)11-18)23-12-19(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-13,15,27H,9,14H2,1H3,(H,26,31)(H,28,29)
InChIKeyDDKMQUXLSUUYKL-UHFFFAOYSA-N
XLogP2.90
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity611

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide?
The IUPAC name of 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide (CID 136016409) is 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide?
The canonical SMILES for 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide is CN1C=NC=C1CNC(=O)C2=CC3=C(C=C2)C=C(N3)C4=NNC(=C4)CC5=CC=CC=C5.
What is the InChIKey of 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide?
The InChIKey is DDKMQUXLSUUYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-30-15-25-13-20(30)14-26-24(31)18-8-7-17-10-22(27-21(17)11-18)23-12-19(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-13,15,27H,9,14H2,1H3,(H,26,31)(H,28,29).
What are the key properties of 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide?
2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 136016409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).