1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea

C21H21N7O2 — CID 44555360

IUPAC1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccc(OC)nc3)cc2n1
InChIInChI=1S/C21H21N7O2/c1-4-22-21(29)27-17-12-28-16(20-24-9-13(2)10-25-20)7-15(8-18(28)26-17)14-5-6-19(30-3)23-11-14/h5-12H,4H2,1-3H3,(H2,22,27,29)
InChIKeyFQOKIWGLCSLEEB-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.31
Rot. Bonds5

About 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 44555360) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea
PubChem CID44555360
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccc(OC)nc3)cc2n1
InChIInChI=1S/C21H21N7O2/c1-4-22-21(29)27-17-12-28-16(20-24-9-13(2)10-25-20)7-15(8-18(28)26-17)14-5-6-19(30-3)23-11-14/h5-12H,4H2,1-3H3,(H2,22,27,29)
InChIKeyFQOKIWGLCSLEEB-UHFFFAOYSA-N
XLogP3.31
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea (CID 44555360) is 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccc(OC)nc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is FQOKIWGLCSLEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-4-22-21(29)27-17-12-28-16(20-24-9-13(2)10-25-20)7-15(8-18(28)26-17)14-5-6-19(30-3)23-11-14/h5-12H,4H2,1-3H3,(H2,22,27,29).
What are the key properties of 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 403.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[7-(6-methoxy-3-pyridinyl)-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 44555360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).