N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide

C20H17F6N3O2 — CID 11958685

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide
SMILESCCn1nc2cc(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2c1OC
InChIInChI=1S/C20H17F6N3O2/c1-3-29-18(31-2)15-5-4-12(8-16(15)28-29)17(30)27-10-11-6-13(19(21,22)23)9-14(7-11)20(24,25)26/h4-9H,3,10H2,1-2H3,(H,27,30)
InChIKeyZZDBXVFWKOPFGU-UHFFFAOYSA-N
MW445.36 g/mol
LogP5.03
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide (PubChem CID 11958685) has the molecular formula C20H17F6N3O2 and a molecular weight of 445.36 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide
PubChem CID11958685
Molecular FormulaC20H17F6N3O2
Molecular Weight445.36 g/mol
Exact Mass445.12
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide
SMILESCCn1nc2cc(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2c1OC
InChIInChI=1S/C20H17F6N3O2/c1-3-29-18(31-2)15-5-4-12(8-16(15)28-29)17(30)27-10-11-6-13(19(21,22)23)9-14(7-11)20(24,25)26/h4-9H,3,10H2,1-2H3,(H,27,30)
InChIKeyZZDBXVFWKOPFGU-UHFFFAOYSA-N
XLogP5.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.36
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
CID 11958407
2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide
CID 11958409
2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide
CID 11958412
3-ethoxy-2-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)indazole-6-carboxamide
CID 11958418
3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide
CID 11958421

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide (CID 11958685) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide is CCn1nc2cc(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2c1OC.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide?
The InChIKey is ZZDBXVFWKOPFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6N3O2/c1-3-29-18(31-2)15-5-4-12(8-16(15)28-29)17(30)27-10-11-6-13(19(21,22)23)9-14(7-11)20(24,25)26/h4-9H,3,10H2,1-2H3,(H,27,30).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-3-methoxyindazole-6-carboxamide is sourced from PubChem (CID 11958685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).