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

C24H24ClN5O2 — CID 164740549

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide
SMILESCCc1ccc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN5O2/c1-2-15-3-4-17(18-10-12-30-22(14-18)28-24(26)29-30)13-20(15)23(32)27-11-9-21(31)16-5-7-19(25)8-6-16/h3-8,10,12-14,21,31H,2,9,11H2,1H3,(H2,26,29)(H,27,32)/t21-/m0/s1
InChIKeyXXNLYFOKFFASDY-NRFANRHFSA-N
MW449.94 g/mol
LogP4.05
Rot. Bonds7

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

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide (PubChem CID 164740549) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide
PubChem CID164740549
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide
SMILESCCc1ccc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN5O2/c1-2-15-3-4-17(18-10-12-30-22(14-18)28-24(26)29-30)13-20(15)23(32)27-11-9-21(31)16-5-7-19(25)8-6-16/h3-8,10,12-14,21,31H,2,9,11H2,1H3,(H2,26,29)(H,27,32)/t21-/m0/s1
InChIKeyXXNLYFOKFFASDY-NRFANRHFSA-N
XLogP4.05
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide
CID 150485823
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide
CID 135304837
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 164740525
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 164740522
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595740
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595695
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]benzamide
CID 166596348
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595657
2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 142412297
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-(2-fluorophenyl)-3-hydroxypropyl]-6-methylbenzamide
CID 164740556
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide
CID 155074311
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 155074261

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide (CID 164740549) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide is CCc1ccc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide?
The InChIKey is XXNLYFOKFFASDY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-2-15-3-4-17(18-10-12-30-22(14-18)28-24(26)29-30)13-20(15)23(32)27-11-9-21(31)16-5-7-19(25)8-6-16/h3-8,10,12-14,21,31H,2,9,11H2,1H3,(H2,26,29)(H,27,32)/t21-/m0/s1.
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide has a molecular weight of 449.94 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide is sourced from PubChem (CID 164740549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).