1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea

C20H21N7O — CID 25174175

IUPAC1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea
SMILESCCn1cnc(CCNC(=O)Nc2cn3cc(-c4cccnc4)ccc3n2)c1
InChIInChI=1S/C20H21N7O/c1-2-26-12-17(23-14-26)7-9-22-20(28)25-18-13-27-11-16(5-6-19(27)24-18)15-4-3-8-21-10-15/h3-6,8,10-14H,2,7,9H2,1H3,(H2,22,25,28)
InChIKeyCCOONQZYZOYAOF-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.98
Rot. Bonds6

About 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea

1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea (PubChem CID 25174175) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea
PubChem CID25174175
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea
SMILESCCn1cnc(CCNC(=O)Nc2cn3cc(-c4cccnc4)ccc3n2)c1
InChIInChI=1S/C20H21N7O/c1-2-26-12-17(23-14-26)7-9-22-20(28)25-18-13-27-11-16(5-6-19(27)24-18)15-4-3-8-21-10-15/h3-6,8,10-14H,2,7,9H2,1H3,(H2,22,25,28)
InChIKeyCCOONQZYZOYAOF-UHFFFAOYSA-N
XLogP2.98
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea?
The IUPAC name of 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea (CID 25174175) is 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea?
The canonical SMILES for 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea is CCn1cnc(CCNC(=O)Nc2cn3cc(-c4cccnc4)ccc3n2)c1.
What is the InChIKey of 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea?
The InChIKey is CCOONQZYZOYAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-2-26-12-17(23-14-26)7-9-22-20(28)25-18-13-27-11-16(5-6-19(27)24-18)15-4-3-8-21-10-15/h3-6,8,10-14H,2,7,9H2,1H3,(H2,22,25,28).
What are the key properties of 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea?
1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea has a molecular weight of 375.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea is sourced from PubChem (CID 25174175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).