3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide

C23H29N3O2 — CID 11958696

IUPAC3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC
InChIInChI=1S/C23H29N3O2/c1-3-16-26-23(28-4-2)20-14-13-19(17-21(20)25-26)22(27)24-15-9-8-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,24,27)
InChIKeyINKSLJKETIBZQE-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.60
Rot. Bonds10

About 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide

3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide (PubChem CID 11958696) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide
PubChem CID11958696
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC
InChIInChI=1S/C23H29N3O2/c1-3-16-26-23(28-4-2)20-14-13-19(17-21(20)25-26)22(27)24-15-9-8-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,24,27)
InChIKeyINKSLJKETIBZQE-UHFFFAOYSA-N
XLogP4.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
(+/-)-3-(4-(1-(4-(2H-indazol-2-yl)phenoxy)butyl)benzamido)propanoic acid
CID 68157252
(2-Benzyloxyphenyl)(3-(3-piperidinopropoxy)indazol-1-yl)ketone
CID 145722355
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
3-ethoxy-2-methyl-N-piperonyl-indazole-6-carboxamide
CID 11958405

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide?
The IUPAC name of 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide (CID 11958696) is 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide is CCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC.
What is the InChIKey of 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide?
The InChIKey is INKSLJKETIBZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-16-26-23(28-4-2)20-14-13-19(17-21(20)25-26)22(27)24-15-9-8-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,24,27).
What are the key properties of 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide?
3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-phenylbutyl)-2-propylindazole-6-carboxamide is sourced from PubChem (CID 11958696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).