3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide

C24H22F3N5O2 — CID 166596222

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc([C@@H](O)C(F)(F)CNC(=O)c2c(C)ccc(-c3ccn4nc(N)nc4c3)c2F)cc1
InChIInChI=1S/C24H22F3N5O2/c1-13-3-6-15(7-4-13)21(33)24(26,27)12-29-22(34)19-14(2)5-8-17(20(19)25)16-9-10-32-18(11-16)30-23(28)31-32/h3-11,21,33H,12H2,1-2H3,(H2,28,31)(H,29,34)/t21-/m1/s1
InChIKeyRCLQRRIIUCBMPX-OAQYLSRUSA-N
MW469.47 g/mol
LogP3.83
Rot. Bonds6

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide (PubChem CID 166596222) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide
PubChem CID166596222
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc([C@@H](O)C(F)(F)CNC(=O)c2c(C)ccc(-c3ccn4nc(N)nc4c3)c2F)cc1
InChIInChI=1S/C24H22F3N5O2/c1-13-3-6-15(7-4-13)21(33)24(26,27)12-29-22(34)19-14(2)5-8-17(20(19)25)16-9-10-32-18(11-16)30-23(28)31-32/h3-11,21,33H,12H2,1-2H3,(H2,28,31)(H,29,34)/t21-/m1/s1
InChIKeyRCLQRRIIUCBMPX-OAQYLSRUSA-N
XLogP3.83
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide with MolForge

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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-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide (CID 166596222) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide is Cc1ccc([C@@H](O)C(F)(F)CNC(=O)c2c(C)ccc(-c3ccn4nc(N)nc4c3)c2F)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide?
The InChIKey is RCLQRRIIUCBMPX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-13-3-6-15(7-4-13)21(33)24(26,27)12-29-22(34)19-14(2)5-8-17(20(19)25)16-9-10-32-18(11-16)30-23(28)31-32/h3-11,21,33H,12H2,1-2H3,(H2,28,31)(H,29,34)/t21-/m1/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide has a molecular weight of 469.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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-[(3R)-2,2-difluoro-3-hydroxy-3-(4-methylphenyl)propyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 166596222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).