2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C22H18N6O — CID 23648676

IUPAC2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccn4n3)cc2)n1
InChIInChI=1S/C22H18N6O/c1-27-14-19(16-9-11-23-12-10-16)22(26-27)17-5-7-18(8-6-17)29-15-20-24-21-4-2-3-13-28(21)25-20/h2-14H,15H2,1H3
InChIKeyFOSALFAKSPTCPP-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.77
Rot. Bonds5

About 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine

2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 23648676) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID23648676
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccn4n3)cc2)n1
InChIInChI=1S/C22H18N6O/c1-27-14-19(16-9-11-23-12-10-16)22(26-27)17-5-7-18(8-6-17)29-15-20-24-21-4-2-3-13-28(21)25-20/h2-14H,15H2,1H3
InChIKeyFOSALFAKSPTCPP-UHFFFAOYSA-N
XLogP3.77
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 23648676) is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccn4n3)cc2)n1.
What is the InChIKey of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FOSALFAKSPTCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-27-14-19(16-9-11-23-12-10-16)22(26-27)17-5-7-18(8-6-17)29-15-20-24-21-4-2-3-13-28(21)25-20/h2-14H,15H2,1H3.
What are the key properties of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 382.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 23648676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).