2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide

C26H30N4O3 — CID 136635909

IUPAC2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide
SMILESCCNC(=O)C1c2ccccc2CN1C(=O)c1cc2c(CC3CCCCC3)[nH]nc2cc1O
InChIInChI=1S/C26H30N4O3/c1-2-27-25(32)24-18-11-7-6-10-17(18)15-30(24)26(33)20-13-19-21(12-16-8-4-3-5-9-16)28-29-22(19)14-23(20)31/h6-7,10-11,13-14,16,24,31H,2-5,8-9,12,15H2,1H3,(H,27,32)(H,28,29)
InChIKeyKZMXZBSNSBPHEH-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.22
Rot. Bonds5

About 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide

2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide (PubChem CID 136635909) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide.

Molecular Properties

Compound Name2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide
PubChem CID136635909
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide
SMILESCCNC(=O)C1c2ccccc2CN1C(=O)c1cc2c(CC3CCCCC3)[nH]nc2cc1O
InChIInChI=1S/C26H30N4O3/c1-2-27-25(32)24-18-11-7-6-10-17(18)15-30(24)26(33)20-13-19-21(12-16-8-4-3-5-9-16)28-29-22(19)14-23(20)31/h6-7,10-11,13-14,16,24,31H,2-5,8-9,12,15H2,1H3,(H,27,32)(H,28,29)
InChIKeyKZMXZBSNSBPHEH-UHFFFAOYSA-N
XLogP4.22
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide?
The IUPAC name of 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide (CID 136635909) is 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide.
What is the SMILES notation for 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide?
The canonical SMILES for 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide is CCNC(=O)C1c2ccccc2CN1C(=O)c1cc2c(CC3CCCCC3)[nH]nc2cc1O.
What is the InChIKey of 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide?
The InChIKey is KZMXZBSNSBPHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-2-27-25(32)24-18-11-7-6-10-17(18)15-30(24)26(33)20-13-19-21(12-16-8-4-3-5-9-16)28-29-22(19)14-23(20)31/h6-7,10-11,13-14,16,24,31H,2-5,8-9,12,15H2,1H3,(H,27,32)(H,28,29).
What are the key properties of 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide?
2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethyl)-6-hydroxy-2H-indazole-5-carbonyl]-N-ethyl-1,3-dihydroisoindole-1-carboxamide is sourced from PubChem (CID 136635909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).