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

C35H20ClF3N8 — CID 155371082

IUPAC7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ncccc2-c2ccn3ncnc3c2)c(Cl)cc1-c1cnc(-c2cc(F)c(F)c(F)c2)c(-c2ccn3ncnc3c2)c1
InChIInChI=1S/C35H20ClF3N8/c1-19-9-27(35-24(3-2-6-40-35)20-4-7-46-31(13-20)42-17-44-46)28(36)15-25(19)23-10-26(21-5-8-47-32(14-21)43-18-45-47)34(41-16-23)22-11-29(37)33(39)30(38)12-22/h2-18H,1H3
InChIKeyVLDAWKGKMNUQPN-UHFFFAOYSA-N
MW645.05 g/mol
LogP8.28
Rot. Bonds5

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

7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155371082) has the molecular formula C35H20ClF3N8 and a molecular weight of 645.05 g/mol. Its IUPAC name is 7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155371082
Molecular FormulaC35H20ClF3N8
Molecular Weight645.05 g/mol
Exact Mass644.15
IUPAC Name7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ncccc2-c2ccn3ncnc3c2)c(Cl)cc1-c1cnc(-c2cc(F)c(F)c(F)c2)c(-c2ccn3ncnc3c2)c1
InChIInChI=1S/C35H20ClF3N8/c1-19-9-27(35-24(3-2-6-40-35)20-4-7-46-31(13-20)42-17-44-46)28(36)15-25(19)23-10-26(21-5-8-47-32(14-21)43-18-45-47)34(41-16-23)22-11-29(37)33(39)30(38)12-22/h2-18H,1H3
InChIKeyVLDAWKGKMNUQPN-UHFFFAOYSA-N
XLogP8.28
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.05
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-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-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 155371082) is 7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2ncccc2-c2ccn3ncnc3c2)c(Cl)cc1-c1cnc(-c2cc(F)c(F)c(F)c2)c(-c2ccn3ncnc3c2)c1.
What is the InChIKey of 7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VLDAWKGKMNUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20ClF3N8/c1-19-9-27(35-24(3-2-6-40-35)20-4-7-46-31(13-20)42-17-44-46)28(36)15-25(19)23-10-26(21-5-8-47-32(14-21)43-18-45-47)34(41-16-23)22-11-29(37)33(39)30(38)12-22/h2-18H,1H3.
What are the key properties of 7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 645.05 g/mol, XLogP of 8.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[5-chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155371082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).