3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide

C21H22F3N3O3 — CID 11958432

IUPAC3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1OCC
InChIInChI=1S/C21H22F3N3O3/c1-3-11-27-20(29-4-2)17-10-7-15(12-18(17)26-27)19(28)25-13-14-5-8-16(9-6-14)30-21(22,23)24/h5-10,12H,3-4,11,13H2,1-2H3,(H,25,28)
InChIKeyKGVHEGWVNMILOY-UHFFFAOYSA-N
MW421.42 g/mol
LogP4.67
Rot. Bonds8

About 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide

3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide (PubChem CID 11958432) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
PubChem CID11958432
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC Name3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1OCC
InChIInChI=1S/C21H22F3N3O3/c1-3-11-27-20(29-4-2)17-10-7-15(12-18(17)26-27)19(28)25-13-14-5-8-16(9-6-14)30-21(22,23)24/h5-10,12H,3-4,11,13H2,1-2H3,(H,25,28)
InChIKeyKGVHEGWVNMILOY-UHFFFAOYSA-N
XLogP4.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Arry-371797
CID 46883775
3-[[4-[1-[3-[2-Methoxy-5-(trifluoromethyl)phenyl]-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]butyl]benzoyl]amino]propanoic acid
CID 122189577
3-[[4-[1-[3-[2-Methoxy-5-(trifluoromethyl)phenyl]-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
CID 122189714
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
6-(2,2-Difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one
CID 162645895
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
2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
CID 11958407

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
The IUPAC name of 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide (CID 11958432) is 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide is CCCn1nc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1OCC.
What is the InChIKey of 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
The InChIKey is KGVHEGWVNMILOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c1-3-11-27-20(29-4-2)17-10-7-15(12-18(17)26-27)19(28)25-13-14-5-8-16(9-6-14)30-21(22,23)24/h5-10,12H,3-4,11,13H2,1-2H3,(H,25,28).
What are the key properties of 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide is sourced from PubChem (CID 11958432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).