1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone

C24H20N8O2 — CID 58374806

IUPAC1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESO=C(Cc1nc2cccc(-c3ccc(OCc4ccc(-c5nn[nH]n5)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C24H20N8O2/c33-21(17-5-6-17)12-22-26-23-3-1-2-20(32(23)29-22)16-7-9-18(10-8-16)34-14-15-4-11-19(25-13-15)24-27-30-31-28-24/h1-4,7-11,13,17H,5-6,12,14H2,(H,27,28,30,31)
InChIKeyASQWHPLVYZKFDG-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.07
Rot. Bonds8

About 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone

1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (PubChem CID 58374806) has the molecular formula C24H20N8O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
PubChem CID58374806
Molecular FormulaC24H20N8O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC Name1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESO=C(Cc1nc2cccc(-c3ccc(OCc4ccc(-c5nn[nH]n5)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C24H20N8O2/c33-21(17-5-6-17)12-22-26-23-3-1-2-20(32(23)29-22)16-7-9-18(10-8-16)34-14-15-4-11-19(25-13-15)24-27-30-31-28-24/h1-4,7-11,13,17H,5-6,12,14H2,(H,27,28,30,31)
InChIKeyASQWHPLVYZKFDG-UHFFFAOYSA-N
XLogP3.07
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (CID 58374806) is 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is O=C(Cc1nc2cccc(-c3ccc(OCc4ccc(-c5nn[nH]n5)nc4)cc3)n2n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The InChIKey is ASQWHPLVYZKFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2/c33-21(17-5-6-17)12-22-26-23-3-1-2-20(32(23)29-22)16-7-9-18(10-8-16)34-14-15-4-11-19(25-13-15)24-27-30-31-28-24/h1-4,7-11,13,17H,5-6,12,14H2,(H,27,28,30,31).
What are the key properties of 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone has a molecular weight of 452.48 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[5-[4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is sourced from PubChem (CID 58374806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).