3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide

C22H19ClFN5O2 — CID 164740532

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide
SMILESNc1nc2cc(-c3cccc(C(=O)NCC[C@H](O)c4ccc(Cl)cc4)c3F)ccn2n1
InChIInChI=1S/C22H19ClFN5O2/c23-15-6-4-13(5-7-15)18(30)8-10-26-21(31)17-3-1-2-16(20(17)24)14-9-11-29-19(12-14)27-22(25)28-29/h1-7,9,11-12,18,30H,8,10H2,(H2,25,28)(H,26,31)/t18-/m0/s1
InChIKeyWCZYJWNVPLJLFK-SFHVURJKSA-N
MW439.88 g/mol
LogP3.62
Rot. Bonds6

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide (PubChem CID 164740532) has the molecular formula C22H19ClFN5O2 and a molecular weight of 439.88 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide
PubChem CID164740532
Molecular FormulaC22H19ClFN5O2
Molecular Weight439.88 g/mol
Exact Mass439.12
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide
SMILESNc1nc2cc(-c3cccc(C(=O)NCC[C@H](O)c4ccc(Cl)cc4)c3F)ccn2n1
InChIInChI=1S/C22H19ClFN5O2/c23-15-6-4-13(5-7-15)18(30)8-10-26-21(31)17-3-1-2-16(20(17)24)14-9-11-29-19(12-14)27-22(25)28-29/h1-7,9,11-12,18,30H,8,10H2,(H2,25,28)(H,26,31)/t18-/m0/s1
InChIKeyWCZYJWNVPLJLFK-SFHVURJKSA-N
XLogP3.62
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

WO2022086828, Example 2
CID 163265561
WO2022086828, Example 160
CID 163265712
WO2022086828, Example 303
CID 164740546
WO2018148626, Example 146
CID 164740592
WO2022086828, Example 94
CID 163265702
WO2018148626, Example 46
CID 164740584
WO2022086828, Example 274
CID 163265520
WO2022086828, Example 228
CID 163265625
WO2022086828, Example 108
CID 163265626
WO2022086828, Example 298
CID 163265631
WO2022086828, Example 207
CID 163265649
WO2022086828, Example 212
CID 163265650

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide (CID 164740532) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide is Nc1nc2cc(-c3cccc(C(=O)NCC[C@H](O)c4ccc(Cl)cc4)c3F)ccn2n1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide?
The InChIKey is WCZYJWNVPLJLFK-SFHVURJKSA-N. The full InChI is InChI=1S/C22H19ClFN5O2/c23-15-6-4-13(5-7-15)18(30)8-10-26-21(31)17-3-1-2-16(20(17)24)14-9-11-29-19(12-14)27-22(25)28-29/h1-7,9,11-12,18,30H,8,10H2,(H2,25,28)(H,26,31)/t18-/m0/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide has a molecular weight of 439.88 g/mol, XLogP of 3.62, 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-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-fluorobenzamide is sourced from PubChem (CID 164740532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).