2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C30H29ClN6O5 — CID 158737252

IUPAC2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc(OC)c2nc(C3CC3)nn12.COc1ccc(C(=O)Cc2ccccc2Cl)n2nc(C3CC3)nc12
InChIInChI=1S/C18H16ClN3O2.C12H13N3O3/c1-24-16-9-8-14(15(23)10-12-4-2-3-5-13(12)19)22-18(16)20-17(21-22)11-6-7-11;1-17-9-6-5-8(12(16)18-2)15-11(9)13-10(14-15)7-3-4-7/h2-5,8-9,11H,6-7,10H2,1H3;5-7H,3-4H2,1-2H3
InChIKeyILVHUOMQZCZLBI-UHFFFAOYSA-N
MW589.05 g/mol
LogP5.10
Rot. Bonds8

About 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 158737252) has the molecular formula C30H29ClN6O5 and a molecular weight of 589.05 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID158737252
Molecular FormulaC30H29ClN6O5
Molecular Weight589.05 g/mol
Exact Mass588.19
IUPAC Name2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc(OC)c2nc(C3CC3)nn12.COc1ccc(C(=O)Cc2ccccc2Cl)n2nc(C3CC3)nc12
InChIInChI=1S/C18H16ClN3O2.C12H13N3O3/c1-24-16-9-8-14(15(23)10-12-4-2-3-5-13(12)19)22-18(16)20-17(21-22)11-6-7-11;1-17-9-6-5-8(12(16)18-2)15-11(9)13-10(14-15)7-3-4-7/h2-5,8-9,11H,6-7,10H2,1H3;5-7H,3-4H2,1-2H3
InChIKeyILVHUOMQZCZLBI-UHFFFAOYSA-N
XLogP5.10
TPSA122.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500589.05
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 6-amino-5-methoxypyridine-2-carboxylate;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 162153799
N-[[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methyl]acetamide
CID 46834673
CID 88576732
CID 88576732
(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid
CID 58074662
1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone
CID 145492945
methyl 2-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 59313178
methyl 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
CID 69297602
2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
CID 70494068
methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
CID 46735306
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
CID 100633924
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 158737252) is 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1ccc(OC)c2nc(C3CC3)nn12.COc1ccc(C(=O)Cc2ccccc2Cl)n2nc(C3CC3)nc12.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is ILVHUOMQZCZLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2.C12H13N3O3/c1-24-16-9-8-14(15(23)10-12-4-2-3-5-13(12)19)22-18(16)20-17(21-22)11-6-7-11;1-17-9-6-5-8(12(16)18-2)15-11(9)13-10(14-15)7-3-4-7/h2-5,8-9,11H,6-7,10H2,1H3;5-7H,3-4H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 589.05 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 158737252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).