2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid

C20H27N3O3 — CID 74951976

IUPAC2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)O
InChIInChI=1S/C20H27N3O3/c1-13(2)17(20(25)26)21-19(24)18-15-10-6-7-11-16(15)23(22-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyFWDOPMKLKXLVEL-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.46
Rot. Bonds6

About 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid

2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 74951976) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid
PubChem CID74951976
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)O
InChIInChI=1S/C20H27N3O3/c1-13(2)17(20(25)26)21-19(24)18-15-10-6-7-11-16(15)23(22-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyFWDOPMKLKXLVEL-UHFFFAOYSA-N
XLogP3.46
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid 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-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
MDMB-Fubinaca
CID 119025665
AB-Pinaca
CID 71301472
5-Fluoro-apinaca
CID 71711119
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid (CID 74951976) is 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid is CC(C)C(NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)O.
What is the InChIKey of 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is FWDOPMKLKXLVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13(2)17(20(25)26)21-19(24)18-15-10-6-7-11-16(15)23(22-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid?
2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 357.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 74951976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).