[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C21H24ClN5O3 — CID 162654804

IUPAC[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(O)C(C)C2)cn2nc(NCc3cccc(Cl)c3)nc12
InChIInChI=1S/C21H24ClN5O3/c1-13-11-26(7-6-17(13)28)20(29)15-9-18(30-2)19-24-21(25-27(19)12-15)23-10-14-4-3-5-16(22)8-14/h3-5,8-9,12-13,17,28H,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyJPVYUYJDAAIBGE-UHFFFAOYSA-N
MW429.91 g/mol
LogP2.85
Rot. Bonds5

About [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone

[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 162654804) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID162654804
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(O)C(C)C2)cn2nc(NCc3cccc(Cl)c3)nc12
InChIInChI=1S/C21H24ClN5O3/c1-13-11-26(7-6-17(13)28)20(29)15-9-18(30-2)19-24-21(25-27(19)12-15)23-10-14-4-3-5-16(22)8-14/h3-5,8-9,12-13,17,28H,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyJPVYUYJDAAIBGE-UHFFFAOYSA-N
XLogP2.85
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 162654804) is [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone is COc1cc(C(=O)N2CCC(O)C(C)C2)cn2nc(NCc3cccc(Cl)c3)nc12.
What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is JPVYUYJDAAIBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-13-11-26(7-6-17(13)28)20(29)15-9-18(30-2)19-24-21(25-27(19)12-15)23-10-14-4-3-5-16(22)8-14/h3-5,8-9,12-13,17,28H,6-7,10-11H2,1-2H3,(H,23,25).
What are the key properties of [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 429.91 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 162654804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).