N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide

C16H11F3N6O — CID 18126415

IUPACN-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1n[nH]c2ccccc12
InChIInChI=1S/C16H11F3N6O/c17-16(18,19)9-5-6-12-22-23-13(25(12)8-9)7-20-15(26)14-10-3-1-2-4-11(10)21-24-14/h1-6,8H,7H2,(H,20,26)(H,21,24)
InChIKeyMMIUSEYZXNRTKU-UHFFFAOYSA-N
MW360.30 g/mol
LogP2.55
Rot. Bonds3

About N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide

N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 18126415) has the molecular formula C16H11F3N6O and a molecular weight of 360.30 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID18126415
Molecular FormulaC16H11F3N6O
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC NameN-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1n[nH]c2ccccc12
InChIInChI=1S/C16H11F3N6O/c17-16(18,19)9-5-6-12-22-23-13(25(12)8-9)7-20-15(26)14-10-3-1-2-4-11(10)21-24-14/h1-6,8H,7H2,(H,20,26)(H,21,24)
InChIKeyMMIUSEYZXNRTKU-UHFFFAOYSA-N
XLogP2.55
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18100245
3,5-bis(trifluoromethyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 16571785
2-(4-phenylphenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 24523382
4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide
CID 18126368
6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 17483735
5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 18126401
6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 16571776
2-bromo-5-fluoro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18228112
(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide
CID 33480155
4,5-dimethyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 51111299
4-(methylsulfonylmethyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 24523423
3,5-dimethyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide
CID 18100268

Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide (CID 18126415) is N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide is O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1n[nH]c2ccccc12.
What is the InChIKey of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is MMIUSEYZXNRTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O/c17-16(18,19)9-5-6-12-22-23-13(25(12)8-9)7-20-15(26)14-10-3-1-2-4-11(10)21-24-14/h1-6,8H,7H2,(H,20,26)(H,21,24).
What are the key properties of N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide?
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 360.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 18126415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).