1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone

C18H18N4O3 — CID 25115493

IUPAC1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone
SMILESCOc1ccc(C(=O)Cc2ccncc2)n2nc(C3(CO)CC3)nc12
InChIInChI=1S/C18H18N4O3/c1-25-15-3-2-13(14(24)10-12-4-8-19-9-5-12)22-16(15)20-17(21-22)18(11-23)6-7-18/h2-5,8-9,23H,6-7,10-11H2,1H3
InChIKeyDXSMZHHSVJSGHW-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.58
Rot. Bonds6

About 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone

1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone (PubChem CID 25115493) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone
PubChem CID25115493
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone
SMILESCOc1ccc(C(=O)Cc2ccncc2)n2nc(C3(CO)CC3)nc12
InChIInChI=1S/C18H18N4O3/c1-25-15-3-2-13(14(24)10-12-4-8-19-9-5-12)22-16(15)20-17(21-22)18(11-23)6-7-18/h2-5,8-9,23H,6-7,10-11H2,1H3
InChIKeyDXSMZHHSVJSGHW-UHFFFAOYSA-N
XLogP1.58
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone (CID 25115493) is 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone is COc1ccc(C(=O)Cc2ccncc2)n2nc(C3(CO)CC3)nc12.
What is the InChIKey of 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone?
The InChIKey is DXSMZHHSVJSGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-15-3-2-13(14(24)10-12-4-8-19-9-5-12)22-16(15)20-17(21-22)18(11-23)6-7-18/h2-5,8-9,23H,6-7,10-11H2,1H3.
What are the key properties of 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone?
1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone has a molecular weight of 338.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(hydroxymethyl)cyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 25115493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).