1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea

C20H19N7O — CID 44555351

IUPAC1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3ccc(C)nc3)cc2n1
InChIInChI=1S/C20H19N7O/c1-3-21-20(28)26-17-12-27-16(19-22-7-4-8-23-19)9-15(10-18(27)25-17)14-6-5-13(2)24-11-14/h4-12H,3H2,1-2H3,(H2,21,26,28)
InChIKeyKJDNVMISTFWXEK-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.30
Rot. Bonds4

About 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 44555351) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea
PubChem CID44555351
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3ccc(C)nc3)cc2n1
InChIInChI=1S/C20H19N7O/c1-3-21-20(28)26-17-12-27-16(19-22-7-4-8-23-19)9-15(10-18(27)25-17)14-6-5-13(2)24-11-14/h4-12H,3H2,1-2H3,(H2,21,26,28)
InChIKeyKJDNVMISTFWXEK-UHFFFAOYSA-N
XLogP3.30
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea 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 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea (CID 44555351) is 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3ccc(C)nc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is KJDNVMISTFWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-3-21-20(28)26-17-12-27-16(19-22-7-4-8-23-19)9-15(10-18(27)25-17)14-6-5-13(2)24-11-14/h4-12H,3H2,1-2H3,(H2,21,26,28).
What are the key properties of 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 373.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[7-(6-methyl-3-pyridinyl)-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 44555351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).