5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

C23H21F3N6O3 — CID 150259786

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCOc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCc1ccccc1OC(F)(F)F
InChIInChI=1S/C23H21F3N6O3/c1-13-16(15-8-10-32-19(11-15)30-22(27)31-32)12-17(21(29-13)34-2)20(33)28-9-7-14-5-3-4-6-18(14)35-23(24,25)26/h3-6,8,10-12H,7,9H2,1-2H3,(H2,27,31)(H,28,33)
InChIKeyGBHQMOHQCDIASD-UHFFFAOYSA-N
MW486.45 g/mol
LogP3.56
Rot. Bonds7

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 150259786) has the molecular formula C23H21F3N6O3 and a molecular weight of 486.45 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID150259786
Molecular FormulaC23H21F3N6O3
Molecular Weight486.45 g/mol
Exact Mass486.16
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCOc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCc1ccccc1OC(F)(F)F
InChIInChI=1S/C23H21F3N6O3/c1-13-16(15-8-10-32-19(11-15)30-22(27)31-32)12-17(21(29-13)34-2)20(33)28-9-7-14-5-3-4-6-18(14)35-23(24,25)26/h3-6,8,10-12H,7,9H2,1-2H3,(H2,27,31)(H,28,33)
InChIKeyGBHQMOHQCDIASD-UHFFFAOYSA-N
XLogP3.56
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 152535099
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 150344506
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
CID 135305038
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
CID 151715212
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(deuteriomethoxy)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-methylpyridine-3-carboxamide
CID 135304985
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide
CID 135304837
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 135304812
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 165437122
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142581016
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide
CID 152703549
2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 155074290
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 150259786) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is COc1nc(C)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCc1ccccc1OC(F)(F)F.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is GBHQMOHQCDIASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3/c1-13-16(15-8-10-32-19(11-15)30-22(27)31-32)12-17(21(29-13)34-2)20(33)28-9-7-14-5-3-4-6-18(14)35-23(24,25)26/h3-6,8,10-12H,7,9H2,1-2H3,(H2,27,31)(H,28,33).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 486.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 150259786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).