1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone

C19H16Cl2N4O3 — CID 145492945

IUPAC1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(C)=O)CC3)nc12
InChIInChI=1S/C19H16Cl2N4O3/c1-10(26)19(5-6-19)18-23-17-16(28-2)4-3-14(25(17)24-18)15(27)7-11-12(20)8-22-9-13(11)21/h3-4,8-9H,5-7H2,1-2H3
InChIKeyCNQQKFUMPJMBSC-UHFFFAOYSA-N
MW419.27 g/mol
LogP3.49
Rot. Bonds6

About 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone

1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone (PubChem CID 145492945) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone
PubChem CID145492945
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC Name1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(C)=O)CC3)nc12
InChIInChI=1S/C19H16Cl2N4O3/c1-10(26)19(5-6-19)18-23-17-16(28-2)4-3-14(25(17)24-18)15(27)7-11-12(20)8-22-9-13(11)21/h3-4,8-9H,5-7H2,1-2H3
InChIKeyCNQQKFUMPJMBSC-UHFFFAOYSA-N
XLogP3.49
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone with MolForge

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Related Compounds

1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide
CID 118928451
1-[[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-3-methoxy-1-(methylideneamino)-2-pyridinylidene]amino]methyl]cyclopropane-1-carboxamide
CID 145492942
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
2-(3,5-dichloro-4-pyridinyl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 24829338
2-(3,5-dichloro-4-pyridinyl)-1-(2,2-diethyl-7-methoxy-1,3-benzodioxol-4-yl)ethanone
CID 143213221
[1-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanol
CID 90842028
2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-prop-2-enoxyphenyl)ethanone
CID 24959221
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 70230839
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 70231703
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(3-methylbutoxy)phenyl]ethanone
CID 24960690
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
CID 67149115
2-(3-chloro-5-methyl-4-pyridinyl)-1-(6-methoxyspiro[2,4-dihydro-1,5-benzodioxepine-3,3'-oxetane]-9-yl)ethanone
CID 163432757

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
The IUPAC name of 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) is 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(C)=O)CC3)nc12.
What is the InChIKey of 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
The InChIKey is CNQQKFUMPJMBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-10(26)19(5-6-19)18-23-17-16(28-2)4-3-14(25(17)24-18)15(27)7-11-12(20)8-22-9-13(11)21/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone has a molecular weight of 419.27 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylcyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone is sourced from PubChem (CID 145492945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).