N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide

C21H19N7O — CID 44539853

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)n1
InChIInChI=1S/C21H19N7O/c1-12(2)28-24-11-20(27-28)21(29)25-18-8-13(9-19-16(18)10-23-26-19)14-4-3-5-17-15(14)6-7-22-17/h3-12,22H,1-2H3,(H,23,26)(H,25,29)
InChIKeyPIHVEDRWWPFSHM-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.14
Rot. Bonds4

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide (PubChem CID 44539853) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide
PubChem CID44539853
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)n1
InChIInChI=1S/C21H19N7O/c1-12(2)28-24-11-20(27-28)21(29)25-18-8-13(9-19-16(18)10-23-26-19)14-4-3-5-17-15(14)6-7-22-17/h3-12,22H,1-2H3,(H,23,26)(H,25,29)
InChIKeyPIHVEDRWWPFSHM-UHFFFAOYSA-N
XLogP4.14
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
(2-((1H-indazol-6-yl)methylamino)phenyl)(6-methyl-1H-indol-3-yl)methanone
CID 11257497
N-[6-(1H-Indol-4-yl)-1H-indazol-4-yl]-2-pyridinecarboxamide
CID 44540407
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide
CID 44540492
N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57399465
N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide
CID 135779195
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
CID 18524032
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
CID 24794160
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(1H-pyrazol-4-yl)phenyl)methanone
CID 46880814
4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide
CID 56676392

Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide (CID 44539853) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide is CC(C)n1ncc(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)n1.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide?
The InChIKey is PIHVEDRWWPFSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-12(2)28-24-11-20(27-28)21(29)25-18-8-13(9-19-16(18)10-23-26-19)14-4-3-5-17-15(14)6-7-22-17/h3-12,22H,1-2H3,(H,23,26)(H,25,29).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 44539853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).