N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide

C21H22N4O2 — CID 97134645

IUPACN-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide
SMILESCc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ncccc2O)cc1C
InChIInChI=1S/C21H22N4O2/c1-13-8-9-15(11-14(13)2)25-18-6-3-5-17(16(18)12-23-25)24-21(27)20-19(26)7-4-10-22-20/h4,7-12,17,26H,3,5-6H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyBKZLZCIHZFKTSW-QGZVFWFLSA-N
MW362.43 g/mol
LogP3.40
Rot. Bonds3

About N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide

N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 97134645) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID97134645
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide
SMILESCc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ncccc2O)cc1C
InChIInChI=1S/C21H22N4O2/c1-13-8-9-15(11-14(13)2)25-18-6-3-5-17(16(18)12-23-25)24-21(27)20-19(26)7-4-10-22-20/h4,7-12,17,26H,3,5-6H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyBKZLZCIHZFKTSW-QGZVFWFLSA-N
XLogP3.40
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-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

Related Compounds

N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopentanecarboxamide
CID 25384334
methyl 4-[[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]benzoate
CID 24793406
N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanylacetamide
CID 42355689
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 42359157
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide
CID 42196745
3-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,1-diethylurea
CID 97123460
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,4,4-trifluorobutanamide
CID 45211075
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenoxypropanamide
CID 42244287
3-(benzimidazol-1-yl)-N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 42099150
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 26320525
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 26401719
3-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 104741380

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide (CID 97134645) is N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide is Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ncccc2O)cc1C.
What is the InChIKey of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is BKZLZCIHZFKTSW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-8-9-15(11-14(13)2)25-18-6-3-5-17(16(18)12-23-25)24-21(27)20-19(26)7-4-10-22-20/h4,7-12,17,26H,3,5-6H2,1-2H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide?
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 97134645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).