5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide

C17H18N6O3 — CID 166322482

IUPAC5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CC(NC(=O)c2cc3cc(O)ccc3[nH]2)C1)c1cn[nH]n1
InChIInChI=1S/C17H18N6O3/c24-12-1-2-13-10(5-12)6-14(21-13)17(26)20-11-3-9(4-11)7-18-16(25)15-8-19-23-22-15/h1-2,5-6,8-9,11,21,24H,3-4,7H2,(H,18,25)(H,20,26)(H,19,22,23)
InChIKeyCJGVIGBDKHDVEL-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.93
Rot. Bonds5

About 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide

5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide (PubChem CID 166322482) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide
PubChem CID166322482
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CC(NC(=O)c2cc3cc(O)ccc3[nH]2)C1)c1cn[nH]n1
InChIInChI=1S/C17H18N6O3/c24-12-1-2-13-10(5-12)6-14(21-13)17(26)20-11-3-9(4-11)7-18-16(25)15-8-19-23-22-15/h1-2,5-6,8-9,11,21,24H,3-4,7H2,(H,18,25)(H,20,26)(H,19,22,23)
InChIKeyCJGVIGBDKHDVEL-UHFFFAOYSA-N
XLogP0.93
TPSA135.79 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-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 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide (CID 166322482) is 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide is O=C(NCC1CC(NC(=O)c2cc3cc(O)ccc3[nH]2)C1)c1cn[nH]n1.
What is the InChIKey of 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide?
The InChIKey is CJGVIGBDKHDVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c24-12-1-2-13-10(5-12)6-14(21-13)17(26)20-11-3-9(4-11)7-18-16(25)15-8-19-23-22-15/h1-2,5-6,8-9,11,21,24H,3-4,7H2,(H,18,25)(H,20,26)(H,19,22,23).
What are the key properties of 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide?
5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166322482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).