[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone

C24H22ClN5O2 — CID 59186189

IUPAC[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Nc2nc3cccc(-c4cccc(Cl)c4)n3n2)cc1)N1CCCC(O)C1
InChIInChI=1S/C24H22ClN5O2/c25-18-5-1-4-17(14-18)21-7-2-8-22-27-24(28-30(21)22)26-19-11-9-16(10-12-19)23(32)29-13-3-6-20(31)15-29/h1-2,4-5,7-12,14,20,31H,3,6,13,15H2,(H,26,28)
InChIKeyZISXMOLDLAIDDZ-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.39
Rot. Bonds4

About [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone

[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 59186189) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID59186189
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Nc2nc3cccc(-c4cccc(Cl)c4)n3n2)cc1)N1CCCC(O)C1
InChIInChI=1S/C24H22ClN5O2/c25-18-5-1-4-17(14-18)21-7-2-8-22-27-24(28-30(21)22)26-19-11-9-16(10-12-19)23(32)29-13-3-6-20(31)15-29/h1-2,4-5,7-12,14,20,31H,3,6,13,15H2,(H,26,28)
InChIKeyZISXMOLDLAIDDZ-UHFFFAOYSA-N
XLogP4.39
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 59186371
4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186532
N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70912615
[4-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 66711226
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 59186171
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78798212
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 7201957
[(3R)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 7201958
[5-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90106434

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone (CID 59186189) is [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(Nc2nc3cccc(-c4cccc(Cl)c4)n3n2)cc1)N1CCCC(O)C1.
What is the InChIKey of [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is ZISXMOLDLAIDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-18-5-1-4-17(14-18)21-7-2-8-22-27-24(28-30(21)22)26-19-11-9-16(10-12-19)23(32)29-13-3-6-20(31)15-29/h1-2,4-5,7-12,14,20,31H,3,6,13,15H2,(H,26,28).
What are the key properties of [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 447.93 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 59186189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).