2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide

C22H27N3O3 — CID 11958417

IUPAC2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC
InChIInChI=1S/C22H27N3O3/c1-4-6-13-25-22(28-5-2)18-12-11-16(14-19(18)24-25)21(26)23-15-17-9-7-8-10-20(17)27-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,26)
InChIKeyYVZUUDHKAZZNCF-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.17
Rot. Bonds9

About 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide

2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 11958417) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID11958417
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC
InChIInChI=1S/C22H27N3O3/c1-4-6-13-25-22(28-5-2)18-12-11-16(14-19(18)24-25)21(26)23-15-17-9-7-8-10-20(17)27-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,26)
InChIKeyYVZUUDHKAZZNCF-UHFFFAOYSA-N
XLogP4.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Arry-371797
CID 46883775
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
(+/-)-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
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-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide (CID 11958417) is 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide is CCCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC.
What is the InChIKey of 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is YVZUUDHKAZZNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-6-13-25-22(28-5-2)18-12-11-16(14-19(18)24-25)21(26)23-15-17-9-7-8-10-20(17)27-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,26).
What are the key properties of 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide?
2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 11958417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).