[3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone

C23H25N3O2 — CID 135959853

IUPAC[3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cc2c(CC3CCCCC3)[nH]nc2cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C23H25N3O2/c27-22-12-21-18(20(24-25-21)10-15-6-2-1-3-7-15)11-19(22)23(28)26-13-16-8-4-5-9-17(16)14-26/h4-5,8-9,11-12,15,27H,1-3,6-7,10,13-14H2,(H,24,25)
InChIKeyMXMXYYFQCRMWRG-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.55
Rot. Bonds3

About [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone

[3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 135959853) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name[3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID135959853
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cc2c(CC3CCCCC3)[nH]nc2cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C23H25N3O2/c27-22-12-21-18(20(24-25-21)10-15-6-2-1-3-7-15)11-19(22)23(28)26-13-16-8-4-5-9-17(16)14-26/h4-5,8-9,11-12,15,27H,1-3,6-7,10,13-14H2,(H,24,25)
InChIKeyMXMXYYFQCRMWRG-UHFFFAOYSA-N
XLogP4.55
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone 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

[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-[5-[3-(dimethylamino)propoxy]-1,3-dihydroisoindol-2-yl]methanone
CID 135960018
2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide
CID 136635909
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(oxan-4-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554815
(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone
CID 136636153
[3-(cyclopentylmethyl)-6-hydroxy-1H-indazol-5-yl]-[5-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]methanone
CID 140554930
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
CID 140554893
(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 173065697
[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
CID 136641484
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(propan-2-yloxymethyl)-1H-indazol-5-yl]methanone
CID 140554944
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
CID 140554831
(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
CID 136649997
[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazol-5-yl]-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-dihydroisoindol-2-yl]methanone
CID 136636106

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone (CID 135959853) is [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone is O=C(c1cc2c(CC3CCCCC3)[nH]nc2cc1O)N1Cc2ccccc2C1.
What is the InChIKey of [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is MXMXYYFQCRMWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-12-21-18(20(24-25-21)10-15-6-2-1-3-7-15)11-19(22)23(28)26-13-16-8-4-5-9-17(16)14-26/h4-5,8-9,11-12,15,27H,1-3,6-7,10,13-14H2,(H,24,25).
What are the key properties of [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone?
[3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 135959853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).