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

C21H25N3O3 — CID 11958698

IUPAC3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC
InChIInChI=1S/C21H25N3O3/c1-4-12-24-21(27-5-2)17-11-10-15(13-18(17)23-24)20(25)22-14-16-8-6-7-9-19(16)26-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,25)
InChIKeyUWPKWVPINCHYSS-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.78
Rot. Bonds8

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

3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide (PubChem CID 11958698) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide
PubChem CID11958698
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC
InChIInChI=1S/C21H25N3O3/c1-4-12-24-21(27-5-2)17-11-10-15(13-18(17)23-24)20(25)22-14-16-8-6-7-9-19(16)26-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,25)
InChIKeyUWPKWVPINCHYSS-UHFFFAOYSA-N
XLogP3.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.78
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 3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide?
The IUPAC name of 3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide (CID 11958698) is 3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide is CCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC.
What is the InChIKey of 3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide?
The InChIKey is UWPKWVPINCHYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-12-24-21(27-5-2)17-11-10-15(13-18(17)23-24)20(25)22-14-16-8-6-7-9-19(16)26-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,25).
What are the key properties of 3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide?
3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-methoxyphenyl)methyl]-2-propylindazole-6-carboxamide is sourced from PubChem (CID 11958698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).