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

C20H18N4O3 — CID 9380722

IUPAC(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCc1cn2cc(C)ccc2n1
InChIInChI=1S/C20H18N4O3/c1-14-8-9-18-21-15(11-23(18)10-14)13-27-20(25)19-17(26-2)12-24(22-19)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyKKTZJMAJWNNOSW-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.19
Rot. Bonds5

About (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate

(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 9380722) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID9380722
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCc1cn2cc(C)ccc2n1
InChIInChI=1S/C20H18N4O3/c1-14-8-9-18-21-15(11-23(18)10-14)13-27-20(25)19-17(26-2)12-24(22-19)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyKKTZJMAJWNNOSW-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

Analyze (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 9380722) is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is COc1cn(-c2ccccc2)nc1C(=O)OCc1cn2cc(C)ccc2n1.
What is the InChIKey of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is KKTZJMAJWNNOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-14-8-9-18-21-15(11-23(18)10-14)13-27-20(25)19-17(26-2)12-24(22-19)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
(6-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 (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 9380722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).