2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol

C29H23F3N8O — CID 171811753

IUPAC2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(CNCc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1)(Cn1cnnn1)c1ccc(F)cc1F
InChIInChI=1S/C29H23F3N8O/c30-22-4-2-21(3-5-22)28-27(20-9-11-33-12-10-20)26-8-1-19(15-40(26)36-28)14-34-16-29(41,17-39-18-35-37-38-39)24-7-6-23(31)13-25(24)32/h1-13,15,18,34,41H,14,16-17H2
InChIKeyZYUWHBJCXRGTDI-UHFFFAOYSA-N
MW556.55 g/mol
LogP4.14
Rot. Bonds9

About 2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 171811753) has the molecular formula C29H23F3N8O and a molecular weight of 556.55 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol
PubChem CID171811753
Molecular FormulaC29H23F3N8O
Molecular Weight556.55 g/mol
Exact Mass556.19
IUPAC Name2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(CNCc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1)(Cn1cnnn1)c1ccc(F)cc1F
InChIInChI=1S/C29H23F3N8O/c30-22-4-2-21(3-5-22)28-27(20-9-11-33-12-10-20)26-8-1-19(15-40(26)36-28)14-34-16-29(41,17-39-18-35-37-38-39)24-7-6-23(31)13-25(24)32/h1-13,15,18,34,41H,14,16-17H2
InChIKeyZYUWHBJCXRGTDI-UHFFFAOYSA-N
XLogP4.14
TPSA106.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(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
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-[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
methyl N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]carbamate
CID 178078879
(2S)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid
CID 178078983
(2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid
CID 178079113
1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine
CID 174355716
2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol
CID 178079030
6-(cyclopropylmethyl)-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 178078966
[2-(2,4-difluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methanamine
CID 178079110
(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[3-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1-bicyclo[1.1.1]pentanyl]propan-2-ol
CID 171759366
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

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-6-yl]methylamino]-3-(tetrazol-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-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol (CID 171811753) is 2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-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-6-yl]methylamino]-3-(tetrazol-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-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol is OC(CNCc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1)(Cn1cnnn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is ZYUWHBJCXRGTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N8O/c30-22-4-2-21(3-5-22)28-27(20-9-11-33-12-10-20)26-8-1-19(15-40(26)36-28)14-34-16-29(41,17-39-18-35-37-38-39)24-7-6-23(31)13-25(24)32/h1-13,15,18,34,41H,14,16-17H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 556.55 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 9 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-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 171811753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).