(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate

C20H18N4O3 — CID 25341429

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCc1cn2cccc(C)c2n1
InChIInChI=1S/C20H18N4O3/c1-14-7-6-10-23-11-15(21-19(14)23)13-27-20(25)18-17(26-2)12-24(22-18)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
InChIKeyMXNIEYGIBNUWCR-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.19
Rot. Bonds5

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 25341429) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID25341429
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCc1cn2cccc(C)c2n1
InChIInChI=1S/C20H18N4O3/c1-14-7-6-10-23-11-15(21-19(14)23)13-27-20(25)18-17(26-2)12-24(22-18)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
InChIKeyMXNIEYGIBNUWCR-UHFFFAOYSA-N
XLogP3.19
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 25341429) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is COc1cn(-c2ccccc2)nc1C(=O)OCc1cn2cccc(C)c2n1.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is MXNIEYGIBNUWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-14-7-6-10-23-11-15(21-19(14)23)13-27-20(25)18-17(26-2)12-24(22-18)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3.
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 25341429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).