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

C20H20F3N3O3 — CID 11958435

IUPAC3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2nn1CC
InChIInChI=1S/C20H20F3N3O3/c1-3-26-19(28-4-2)16-10-7-14(11-17(16)25-26)18(27)24-12-13-5-8-15(9-6-13)29-20(21,22)23/h5-11H,3-4,12H2,1-2H3,(H,24,27)
InChIKeyMQTYECCKJMFZKP-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.28
Rot. Bonds7

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

3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide (PubChem CID 11958435) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
PubChem CID11958435
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2nn1CC
InChIInChI=1S/C20H20F3N3O3/c1-3-26-19(28-4-2)16-10-7-14(11-17(16)25-26)18(27)24-12-13-5-8-15(9-6-13)29-20(21,22)23/h5-11H,3-4,12H2,1-2H3,(H,24,27)
InChIKeyMQTYECCKJMFZKP-UHFFFAOYSA-N
XLogP4.28
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
The IUPAC name of 3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide (CID 11958435) is 3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide is CCOc1c2ccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2nn1CC.
What is the InChIKey of 3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
The InChIKey is MQTYECCKJMFZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-3-26-19(28-4-2)16-10-7-14(11-17(16)25-26)18(27)24-12-13-5-8-15(9-6-13)29-20(21,22)23/h5-11H,3-4,12H2,1-2H3,(H,24,27).
What are the key properties of 3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide is sourced from PubChem (CID 11958435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).