2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol

C29H21F3N6O2 — CID 171811848

IUPAC2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(COc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C29H21F3N6O2/c30-21-6-4-20(5-7-21)28-27(19-10-12-33-13-11-19)25-2-1-3-26(38(25)36-28)40-16-29(39,15-37-18-34-17-35-37)23-9-8-22(31)14-24(23)32/h1-14,17-18,39H,15-16H2
InChIKeyFZTNSKBMAZFQLZ-UHFFFAOYSA-N
MW542.52 g/mol
LogP5.04
Rot. Bonds8

About 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 171811848) has the molecular formula C29H21F3N6O2 and a molecular weight of 542.52 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID171811848
Molecular FormulaC29H21F3N6O2
Molecular Weight542.52 g/mol
Exact Mass542.17
IUPAC Name2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(COc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C29H21F3N6O2/c30-21-6-4-20(5-7-21)28-27(19-10-12-33-13-11-19)25-2-1-3-26(38(25)36-28)40-16-29(39,15-37-18-34-17-35-37)23-9-8-22(31)14-24(23)32/h1-14,17-18,39H,15-16H2
InChIKeyFZTNSKBMAZFQLZ-UHFFFAOYSA-N
XLogP5.04
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol with MolForge

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Related Compounds

N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 171811851
(2S)-2-(2,4-difluorophenyl)-1-[[4-[6-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171811706
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
1-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]ethanone
CID 86702265
2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 513486
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
(2S)-2-(2,4-difluorophenyl)-1-[2-[4-[6-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]ethylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 174354541
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylselanyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171345060
(2S)-2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]pyrazolo[1,5-a]pyridin-7-yl]amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 174354761
(3S)-3-(2,4-difluorophenyl)-N-[4-[6-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide
CID 171811776
2-(2,4-difluorophenyl)-1-[4-(pyridin-4-ylmethoxy)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 101415903

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 171811848) is 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(COc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is FZTNSKBMAZFQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N6O2/c30-21-6-4-20(5-7-21)28-27(19-10-12-33-13-11-19)25-2-1-3-26(38(25)36-28)40-16-29(39,15-37-18-34-17-35-37)23-9-8-22(31)14-24(23)32/h1-14,17-18,39H,15-16H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 542.52 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 171811848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).