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

C23H19N5O — CID 23648674

IUPAC2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccccc4n3)cc2)n1
InChIInChI=1S/C23H19N5O/c1-27-15-21(17-9-11-24-12-10-17)23(26-27)18-5-7-20(8-6-18)29-16-19-14-28-13-3-2-4-22(28)25-19/h2-15H,16H2,1H3
InChIKeySZSYBSJMCBCOQS-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.38
Rot. Bonds5

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

2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine (PubChem CID 23648674) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine
PubChem CID23648674
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccccc4n3)cc2)n1
InChIInChI=1S/C23H19N5O/c1-27-15-21(17-9-11-24-12-10-17)23(26-27)18-5-7-20(8-6-18)29-16-19-14-28-13-3-2-4-22(28)25-19/h2-15H,16H2,1H3
InChIKeySZSYBSJMCBCOQS-UHFFFAOYSA-N
XLogP4.38
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine (CID 23648674) is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccccc4n3)cc2)n1.
What is the InChIKey of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine?
The InChIKey is SZSYBSJMCBCOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-27-15-21(17-9-11-24-12-10-17)23(26-27)18-5-7-20(8-6-18)29-16-19-14-28-13-3-2-4-22(28)25-19/h2-15H,16H2,1H3.
What are the key properties of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine?
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine has a molecular weight of 381.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 23648674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).