3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide

C22H16ClF4N5O — CID 163265649

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide
SMILESNc1nc2cc(-c3ccc(Cl)c(C(=O)NCC(F)(F)Cc4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C22H16ClF4N5O/c23-16-6-5-15(13-7-8-32-17(9-13)30-21(28)31-32)19(25)18(16)20(33)29-11-22(26,27)10-12-1-3-14(24)4-2-12/h1-9H,10-11H2,(H2,28,31)(H,29,33)
InChIKeyIQUQHZXCHBDAAW-UHFFFAOYSA-N
MW477.85 g/mol
LogP4.52
Rot. Bonds6

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide (PubChem CID 163265649) has the molecular formula C22H16ClF4N5O and a molecular weight of 477.85 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide
PubChem CID163265649
Molecular FormulaC22H16ClF4N5O
Molecular Weight477.85 g/mol
Exact Mass477.10
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide
SMILESNc1nc2cc(-c3ccc(Cl)c(C(=O)NCC(F)(F)Cc4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C22H16ClF4N5O/c23-16-6-5-15(13-7-8-32-17(9-13)30-21(28)31-32)19(25)18(16)20(33)29-11-22(26,27)10-12-1-3-14(24)4-2-12/h1-9H,10-11H2,(H2,28,31)(H,29,33)
InChIKeyIQUQHZXCHBDAAW-UHFFFAOYSA-N
XLogP4.52
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.85
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 24896573
3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 25054453
3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide
CID 25057809
3-[3-(3-chloro-4-pyridinyl)-6,8-difluoro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 25060096
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 46879458
4-chloro-N-(3-(2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883711
5-[[6-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57393291
N-[4-[2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
CID 59759685
4-chloro-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 71625409
3-chloro-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
CID 145506081
N-[4-[2-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)benzamide
CID 145506114
N-[4-chloro-3-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2-fluoro-4-(trifluoromethyl)benzamide
CID 156019469

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide (CID 163265649) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide is Nc1nc2cc(-c3ccc(Cl)c(C(=O)NCC(F)(F)Cc4ccc(F)cc4)c3F)ccn2n1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide?
The InChIKey is IQUQHZXCHBDAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N5O/c23-16-6-5-15(13-7-8-32-17(9-13)30-21(28)31-32)19(25)18(16)20(33)29-11-22(26,27)10-12-1-3-14(24)4-2-12/h1-9H,10-11H2,(H2,28,31)(H,29,33).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide has a molecular weight of 477.85 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[2,2-difluoro-3-(4-fluorophenyl)propyl]-2-fluorobenzamide is sourced from PubChem (CID 163265649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).