N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide

C24H35N7O — CID 126537468

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1nc(N2C[C@@H](C)N(C)[C@H](C)C2)n[nH]1
InChIInChI=1S/C24H35N7O/c1-5-6-9-19(12-18-13-25-21-11-8-7-10-20(18)21)26-23(32)22-27-24(29-28-22)31-14-16(2)30(4)17(3)15-31/h7-8,10-11,13,16-17,19,25H,5-6,9,12,14-15H2,1-4H3,(H,26,32)(H,27,28,29)/t16-,17-,19?/m1/s1
InChIKeyIYKXWPUHGXUQIC-QNZPCDNOSA-N
MW437.59 g/mol
LogP3.35
Rot. Bonds8

About N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide

N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 126537468) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID126537468
Molecular FormulaC24H35N7O
Molecular Weight437.59 g/mol
Exact Mass437.29
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1nc(N2C[C@@H](C)N(C)[C@H](C)C2)n[nH]1
InChIInChI=1S/C24H35N7O/c1-5-6-9-19(12-18-13-25-21-11-8-7-10-20(18)21)26-23(32)22-27-24(29-28-22)31-14-16(2)30(4)17(3)15-31/h7-8,10-11,13,16-17,19,25H,5-6,9,12,14-15H2,1-4H3,(H,26,32)(H,27,28,29)/t16-,17-,19?/m1/s1
InChIKeyIYKXWPUHGXUQIC-QNZPCDNOSA-N
XLogP3.35
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide with MolForge

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Related Compounds

3-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 126537316
N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide
CID 126537367
N-[1-(1H-indol-3-yl)pentan-2-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide
CID 126537326
1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one
CID 157050170
2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
CID 126509667
N-[1-(1H-indol-3-yl)hexan-2-yl]-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide
CID 118286090
N-[1-(1H-indol-3-yl)-5-methylhexan-2-yl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1H-imidazole-5-carboxamide
CID 145241274
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 126509183
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpyrazol-3-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 135279677
5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide
CID 168966338
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxamide
CID 135262698
5-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)-5-methylhexan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 126536833

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide (CID 126537468) is N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1nc(N2C[C@@H](C)N(C)[C@H](C)C2)n[nH]1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is IYKXWPUHGXUQIC-QNZPCDNOSA-N. The full InChI is InChI=1S/C24H35N7O/c1-5-6-9-19(12-18-13-25-21-11-8-7-10-20(18)21)26-23(32)22-27-24(29-28-22)31-14-16(2)30(4)17(3)15-31/h7-8,10-11,13,16-17,19,25H,5-6,9,12,14-15H2,1-4H3,(H,26,32)(H,27,28,29)/t16-,17-,19?/m1/s1.
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 126537468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).