2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide

C23H29N3O3 — CID 11958483

IUPAC2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)N(CC)c3ccc(OC)cc3)ccc2c1OCC
InChIInChI=1S/C23H29N3O3/c1-5-8-15-26-23(29-7-3)20-14-9-17(16-21(20)24-26)22(27)25(6-2)18-10-12-19(28-4)13-11-18/h9-14,16H,5-8,15H2,1-4H3
InChIKeyRIWJMCPWHUXMAU-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.91
Rot. Bonds9

About 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide

2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide (PubChem CID 11958483) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide
PubChem CID11958483
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)N(CC)c3ccc(OC)cc3)ccc2c1OCC
InChIInChI=1S/C23H29N3O3/c1-5-8-15-26-23(29-7-3)20-14-9-17(16-21(20)24-26)22(27)25(6-2)18-10-12-19(28-4)13-11-18/h9-14,16H,5-8,15H2,1-4H3
InChIKeyRIWJMCPWHUXMAU-UHFFFAOYSA-N
XLogP4.91
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one
CID 45487316
1-(4-{[7-(1-methyl-1H-indazol-6-yl)-2,3-dihydro-1,4-benzoxazepin-4 (5H)-yl]carbonyl}phenyl)ethanone
CID 59604658
(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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide?
The IUPAC name of 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide (CID 11958483) is 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide.
What is the SMILES notation for 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide?
The canonical SMILES for 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide is CCCCn1nc2cc(C(=O)N(CC)c3ccc(OC)cc3)ccc2c1OCC.
What is the InChIKey of 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide?
The InChIKey is RIWJMCPWHUXMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-8-15-26-23(29-7-3)20-14-9-17(16-21(20)24-26)22(27)25(6-2)18-10-12-19(28-4)13-11-18/h9-14,16H,5-8,15H2,1-4H3.
What are the key properties of 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide?
2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethoxy-N-ethyl-N-(4-methoxyphenyl)indazole-6-carboxamide is sourced from PubChem (CID 11958483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).