3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide

C24H22ClF2N5O — CID 163265625

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(C)(F)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClF2N5O/c1-14-3-8-18(15-9-12-32-19(13-15)30-23(28)31-32)21(26)20(14)22(33)29-11-10-24(2,27)16-4-6-17(25)7-5-16/h3-9,12-13H,10-11H2,1-2H3,(H2,28,31)(H,29,33)
InChIKeyBJFBPNGRSOTUNJ-UHFFFAOYSA-N
MW469.92 g/mol
LogP5.08
Rot. Bonds6

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide (PubChem CID 163265625) has the molecular formula C24H22ClF2N5O and a molecular weight of 469.92 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide
PubChem CID163265625
Molecular FormulaC24H22ClF2N5O
Molecular Weight469.92 g/mol
Exact Mass469.15
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(C)(F)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClF2N5O/c1-14-3-8-18(15-9-12-32-19(13-15)30-23(28)31-32)21(26)20(14)22(33)29-11-10-24(2,27)16-4-6-17(25)7-5-16/h3-9,12-13H,10-11H2,1-2H3,(H2,28,31)(H,29,33)
InChIKeyBJFBPNGRSOTUNJ-UHFFFAOYSA-N
XLogP5.08
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.92
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide (CID 163265625) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(C)(F)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide?
The InChIKey is BJFBPNGRSOTUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N5O/c1-14-3-8-18(15-9-12-32-19(13-15)30-23(28)31-32)21(26)20(14)22(33)29-11-10-24(2,27)16-4-6-17(25)7-5-16/h3-9,12-13H,10-11H2,1-2H3,(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)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide has a molecular weight of 469.92 g/mol, XLogP of 5.08, 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)-N-[3-(4-chlorophenyl)-3-fluorobutyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 163265625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).