7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C35H21ClF2N8 — CID 139495106

IUPAC7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ncccc2-c2ccn3ncnc3c2)c(F)cc1-c1cnc(-c2cc(Cl)ccc2F)c(-c2ccn3ncnc3c2)c1
InChIInChI=1S/C35H21ClF2N8/c1-20-11-28(34-25(3-2-8-39-34)21-6-9-45-32(13-21)41-18-43-45)31(38)16-26(20)23-12-27(22-7-10-46-33(14-22)42-19-44-46)35(40-17-23)29-15-24(36)4-5-30(29)37/h2-19H,1H3
InChIKeyCRCKQJVIFNWWME-UHFFFAOYSA-N
MW627.06 g/mol
LogP8.14
Rot. Bonds5

About 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 139495106) has the molecular formula C35H21ClF2N8 and a molecular weight of 627.06 g/mol. Its IUPAC name is 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID139495106
Molecular FormulaC35H21ClF2N8
Molecular Weight627.06 g/mol
Exact Mass626.15
IUPAC Name7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ncccc2-c2ccn3ncnc3c2)c(F)cc1-c1cnc(-c2cc(Cl)ccc2F)c(-c2ccn3ncnc3c2)c1
InChIInChI=1S/C35H21ClF2N8/c1-20-11-28(34-25(3-2-8-39-34)21-6-9-45-32(13-21)41-18-43-45)31(38)16-26(20)23-12-27(22-7-10-46-33(14-22)42-19-44-46)35(40-17-23)29-15-24(36)4-5-30(29)37/h2-19H,1H3
InChIKeyCRCKQJVIFNWWME-UHFFFAOYSA-N
XLogP8.14
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.06
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 139495106) is 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2ncccc2-c2ccn3ncnc3c2)c(F)cc1-c1cnc(-c2cc(Cl)ccc2F)c(-c2ccn3ncnc3c2)c1.
What is the InChIKey of 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CRCKQJVIFNWWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21ClF2N8/c1-20-11-28(34-25(3-2-8-39-34)21-6-9-45-32(13-21)41-18-43-45)31(38)16-26(20)23-12-27(22-7-10-46-33(14-22)42-19-44-46)35(40-17-23)29-15-24(36)4-5-30(29)37/h2-19H,1H3.
What are the key properties of 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 627.06 g/mol, XLogP of 8.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 139495106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).