N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide

C21H19F6N3O3 — CID 11958676

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide
SMILESCOCCn1nc2cc(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2c1OC
InChIInChI=1S/C21H19F6N3O3/c1-32-6-5-30-19(33-2)16-4-3-13(9-17(16)29-30)18(31)28-11-12-7-14(20(22,23)24)10-15(8-12)21(25,26)27/h3-4,7-10H,5-6,11H2,1-2H3,(H,28,31)
InChIKeyLUWZAXFBQLURPT-UHFFFAOYSA-N
MW475.39 g/mol
LogP4.66
Rot. Bonds7

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide (PubChem CID 11958676) has the molecular formula C21H19F6N3O3 and a molecular weight of 475.39 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide
PubChem CID11958676
Molecular FormulaC21H19F6N3O3
Molecular Weight475.39 g/mol
Exact Mass475.13
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide
SMILESCOCCn1nc2cc(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2c1OC
InChIInChI=1S/C21H19F6N3O3/c1-32-6-5-30-19(33-2)16-4-3-13(9-17(16)29-30)18(31)28-11-12-7-14(20(22,23)24)10-15(8-12)21(25,26)27/h3-4,7-10H,5-6,11H2,1-2H3,(H,28,31)
InChIKeyLUWZAXFBQLURPT-UHFFFAOYSA-N
XLogP4.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
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]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide (CID 11958676) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide is COCCn1nc2cc(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]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
The InChIKey is LUWZAXFBQLURPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6N3O3/c1-32-6-5-30-19(33-2)16-4-3-13(9-17(16)29-30)18(31)28-11-12-7-14(20(22,23)24)10-15(8-12)21(25,26)27/h3-4,7-10H,5-6,11H2,1-2H3,(H,28,31).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide has a molecular weight of 475.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxy-2-(2-methoxyethyl)indazole-6-carboxamide is sourced from PubChem (CID 11958676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).