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

C23H28ClN5O4 — CID 86343399

IUPAC[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cn2nc(NCc3cccc(Cl)c3)nc12
InChIInChI=1S/C23H28ClN5O4/c1-15-13-33-23(2,7-8-30)14-28(15)21(31)17-10-19(32-3)20-26-22(27-29(20)12-17)25-11-16-5-4-6-18(24)9-16/h4-6,9-10,12,15,30H,7-8,11,13-14H2,1-3H3,(H,25,27)/t15-,23?/m1/s1
InChIKeySTGDEIPTGKMLGZ-NKTHEXPSSA-N
MW473.96 g/mol
LogP3.01
Rot. Bonds7

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

[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone (PubChem CID 86343399) has the molecular formula C23H28ClN5O4 and a molecular weight of 473.96 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone
PubChem CID86343399
Molecular FormulaC23H28ClN5O4
Molecular Weight473.96 g/mol
Exact Mass473.18
IUPAC Name[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cn2nc(NCc3cccc(Cl)c3)nc12
InChIInChI=1S/C23H28ClN5O4/c1-15-13-33-23(2,7-8-30)14-28(15)21(31)17-10-19(32-3)20-26-22(27-29(20)12-17)25-11-16-5-4-6-18(24)9-16/h4-6,9-10,12,15,30H,7-8,11,13-14H2,1-3H3,(H,25,27)/t15-,23?/m1/s1
InChIKeySTGDEIPTGKMLGZ-NKTHEXPSSA-N
XLogP3.01
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone with MolForge

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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]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone (CID 86343399) is [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone is COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)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]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone?
The InChIKey is STGDEIPTGKMLGZ-NKTHEXPSSA-N. The full InChI is InChI=1S/C23H28ClN5O4/c1-15-13-33-23(2,7-8-30)14-28(15)21(31)17-10-19(32-3)20-26-22(27-29(20)12-17)25-11-16-5-4-6-18(24)9-16/h4-6,9-10,12,15,30H,7-8,11,13-14H2,1-3H3,(H,25,27)/t15-,23?/m1/s1.
What are the key properties of [2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone?
[2-[(3-chlorophenyl)methylamino]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone has a molecular weight of 473.96 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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]-[(5R)-2-(2-hydroxyethyl)-2,5-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 86343399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).