2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide

C23H29N3O2 — CID 11958415

IUPAC2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2c1OCC
InChIInChI=1S/C23H29N3O2/c1-4-6-15-26-23(28-5-2)20-12-11-19(16-21(20)25-26)22(27)24-14-13-18-9-7-17(3)8-10-18/h7-12,16H,4-6,13-15H2,1-3H3,(H,24,27)
InChIKeyYNTQXLHMVQEBOI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.52
Rot. Bonds9

About 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide

2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide (PubChem CID 11958415) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide
PubChem CID11958415
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2c1OCC
InChIInChI=1S/C23H29N3O2/c1-4-6-15-26-23(28-5-2)20-12-11-19(16-21(20)25-26)22(27)24-14-13-18-9-7-17(3)8-10-18/h7-12,16H,4-6,13-15H2,1-3H3,(H,24,27)
InChIKeyYNTQXLHMVQEBOI-UHFFFAOYSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Arry-371797
CID 46883775
Naphthalen-1-yl-[3-(3-piperidin-1-ylpropoxy)indazol-1-yl]methanone
CID 153979970
Naphthalen-1-yl-[3-(3-pyrrolidin-1-ylpropoxy)indazol-1-yl]methanone
CID 153979977
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
Ethyl 4-(1-ethylindazol-3-yl)benzoate
CID 44451602
(+/-)-3-(4-(1-(4-(2H-indazol-2-yl)phenoxy)butyl)benzamido)propanoic acid
CID 68157252
US10183940, Example 23
CID 121339506
2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-(2-furanylmethyl)-
CID 11958393
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-butyl-3-ethoxyindazole-6-carboxamide
CID 11958395
N-Benzyl-2-butyl-3-ethoxy-2H-indazole-6-carboxamide
CID 11958402
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958403
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide
CID 11958404

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide?
The IUPAC name of 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide (CID 11958415) is 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide is CCCCn1nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2c1OCC.
What is the InChIKey of 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide?
The InChIKey is YNTQXLHMVQEBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-6-15-26-23(28-5-2)20-12-11-19(16-21(20)25-26)22(27)24-14-13-18-9-7-17(3)8-10-18/h7-12,16H,4-6,13-15H2,1-3H3,(H,24,27).
What are the key properties of 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide?
2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethoxy-N-[2-(4-methylphenyl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 11958415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).