(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide

C23H26ClN3O — CID 129422166

IUPAC(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C23H26ClN3O/c1-15-8-6-7-11-20(15)25-23(28)16(2)27-21-13-12-18(24)14-19(21)22(26-27)17-9-4-3-5-10-17/h3-5,9-10,12-16,20H,6-8,11H2,1-2H3,(H,25,28)/t15-,16+,20-/m1/s1
InChIKeyFTORDYVUBYDXKU-GQIGUUNPSA-N
MW395.93 g/mol
LogP5.61
Rot. Bonds4

About (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide

(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide (PubChem CID 129422166) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
PubChem CID129422166
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C23H26ClN3O/c1-15-8-6-7-11-20(15)25-23(28)16(2)27-21-13-12-18(24)14-19(21)22(26-27)17-9-4-3-5-10-17/h3-5,9-10,12-16,20H,6-8,11H2,1-2H3,(H,25,28)/t15-,16+,20-/m1/s1
InChIKeyFTORDYVUBYDXKU-GQIGUUNPSA-N
XLogP5.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 20877446
2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 20877476
5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride
CID 21494216
N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 11291808
N-(2-methylcyclohexyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101080
2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 22421377
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 7816533
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
(2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 40622304
(2R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8757891
2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
CID 20877329
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide (CID 129422166) is (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide is C[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The InChIKey is FTORDYVUBYDXKU-GQIGUUNPSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-15-8-6-7-11-20(15)25-23(28)16(2)27-21-13-12-18(24)14-19(21)22(26-27)17-9-4-3-5-10-17/h3-5,9-10,12-16,20H,6-8,11H2,1-2H3,(H,25,28)/t15-,16+,20-/m1/s1.
What are the key properties of (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide has a molecular weight of 395.93 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 129422166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).