ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

C20H19N5O2 — CID 134202558

IUPACethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cn(C)nc3-c3cccc(C)n3)cn12
InChIInChI=1S/C20H19N5O2/c1-4-27-20(26)17-10-21-18-9-8-14(11-25(17)18)15-12-24(3)23-19(15)16-7-5-6-13(2)22-16/h5-12H,4H2,1-3H3
InChIKeyJJBLNXPGEORBCA-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.28
Rot. Bonds4

About ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 134202558) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID134202558
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Nameethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cn(C)nc3-c3cccc(C)n3)cn12
InChIInChI=1S/C20H19N5O2/c1-4-27-20(26)17-10-21-18-9-8-14(11-25(17)18)15-12-24(3)23-19(15)16-7-5-6-13(2)22-16/h5-12H,4H2,1-3H3
InChIKeyJJBLNXPGEORBCA-UHFFFAOYSA-N
XLogP3.28
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-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 ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 134202558) is ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3cn(C)nc3-c3cccc(C)n3)cn12.
What is the InChIKey of ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is JJBLNXPGEORBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-4-27-20(26)17-10-21-18-9-8-14(11-25(17)18)15-12-24(3)23-19(15)16-7-5-6-13(2)22-16/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 361.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 134202558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).