2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol

C23H23F5N6O3 — CID 166648374

IUPAC2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol
SMILESCc1ncn(-c2ccc(CCc3nc4c(C(C)(C)O)ccc(OCC(F)(F)F)n4n3)cc2OC(F)F)n1
InChIInChI=1S/C23H23F5N6O3/c1-13-29-12-33(31-13)16-7-4-14(10-17(16)37-21(24)25)5-8-18-30-20-15(22(2,3)35)6-9-19(34(20)32-18)36-11-23(26,27)28/h4,6-7,9-10,12,21,35H,5,8,11H2,1-3H3
InChIKeyLOVDJGFFKVHCDB-UHFFFAOYSA-N
MW526.47 g/mol
LogP4.17
Rot. Bonds9

About 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol

2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol (PubChem CID 166648374) has the molecular formula C23H23F5N6O3 and a molecular weight of 526.47 g/mol. Its IUPAC name is 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol
PubChem CID166648374
Molecular FormulaC23H23F5N6O3
Molecular Weight526.47 g/mol
Exact Mass526.18
IUPAC Name2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol
SMILESCc1ncn(-c2ccc(CCc3nc4c(C(C)(C)O)ccc(OCC(F)(F)F)n4n3)cc2OC(F)F)n1
InChIInChI=1S/C23H23F5N6O3/c1-13-29-12-33(31-13)16-7-4-14(10-17(16)37-21(24)25)5-8-18-30-20-15(22(2,3)35)6-9-19(34(20)32-18)36-11-23(26,27)28/h4,6-7,9-10,12,21,35H,5,8,11H2,1-3H3
InChIKeyLOVDJGFFKVHCDB-UHFFFAOYSA-N
XLogP4.17
TPSA99.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol with MolForge

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Related Compounds

1-[2-(difluoromethoxy)-4-nitrophenyl]-3-methyl-1,2,4-triazole
CID 118418725
2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine
CID 158709002
ethyl 3-[3-(difluoromethoxy)-4-(trifluoromethyl)phenyl]propanoate
CID 134632499
2-chloro-7-(4-fluorophenyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-7-(4-fluorophenyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162072044
8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 148944605
1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole
CID 134457989
5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine
CID 70349451
3-[4-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513776
2-[2-[[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]amino]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol
CID 156579222
N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)benzimidazol-4-amine
CID 66679505
1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole
CID 153296549
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]guanidine
CID 110928047

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol (CID 166648374) is 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol is Cc1ncn(-c2ccc(CCc3nc4c(C(C)(C)O)ccc(OCC(F)(F)F)n4n3)cc2OC(F)F)n1.
What is the InChIKey of 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol?
The InChIKey is LOVDJGFFKVHCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N6O3/c1-13-29-12-33(31-13)16-7-4-14(10-17(16)37-21(24)25)5-8-18-30-20-15(22(2,3)35)6-9-19(34(20)32-18)36-11-23(26,27)28/h4,6-7,9-10,12,21,35H,5,8,11H2,1-3H3.
What are the key properties of 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol?
2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol has a molecular weight of 526.47 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethyl]-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 166648374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).