6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide

C16H17BrN6O — CID 56527542

IUPAC6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H17BrN6O/c17-11-5-4-10-8-13(18-12(10)9-11)14(24)19-15-20-16(22-21-15)23-6-2-1-3-7-23/h4-5,8-9,18H,1-3,6-7H2,(H2,19,20,21,22,24)
InChIKeyJPEBZPAQSCQJJK-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.29
Rot. Bonds3

About 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide

6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 56527542) has the molecular formula C16H17BrN6O and a molecular weight of 389.26 g/mol. Its IUPAC name is 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
PubChem CID56527542
Molecular FormulaC16H17BrN6O
Molecular Weight389.26 g/mol
Exact Mass388.06
IUPAC Name6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H17BrN6O/c17-11-5-4-10-8-13(18-12(10)9-11)14(24)19-15-20-16(22-21-15)23-6-2-1-3-7-23/h4-5,8-9,18H,1-3,6-7H2,(H2,19,20,21,22,24)
InChIKeyJPEBZPAQSCQJJK-UHFFFAOYSA-N
XLogP3.29
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527462
3-hydroxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
CID 56556236
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
CID 56555561
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527596
6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide
CID 55556273
6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 137381836
6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 75376748
6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide
CID 159678407
6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 60555509
6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide
CID 39430292

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide (CID 56527542) is 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide is O=C(Nc1nc(N2CCCCC2)n[nH]1)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is JPEBZPAQSCQJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN6O/c17-11-5-4-10-8-13(18-12(10)9-11)14(24)19-15-20-16(22-21-15)23-6-2-1-3-7-23/h4-5,8-9,18H,1-3,6-7H2,(H2,19,20,21,22,24).
What are the key properties of 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide?
6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 389.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 56527542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).