3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea

C17H16F2N4O — CID 90570690

IUPAC3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
SMILESCCN(Cc1cnc2ccccn12)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H16F2N4O/c1-2-22(11-12-10-20-15-8-3-4-9-23(12)15)17(24)21-16-13(18)6-5-7-14(16)19/h3-10H,2,11H2,1H3,(H,21,24)
InChIKeyYVDXDKOUGACORD-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.67
Rot. Bonds4

About 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea

3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea (PubChem CID 90570690) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
PubChem CID90570690
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
SMILESCCN(Cc1cnc2ccccn12)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H16F2N4O/c1-2-22(11-12-10-20-15-8-3-4-9-23(12)15)17(24)21-16-13(18)6-5-7-14(16)19/h3-10H,2,11H2,1H3,(H,21,24)
InChIKeyYVDXDKOUGACORD-UHFFFAOYSA-N
XLogP3.67
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea (CID 90570690) is 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea is CCN(Cc1cnc2ccccn12)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The InChIKey is YVDXDKOUGACORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-2-22(11-12-10-20-15-8-3-4-9-23(12)15)17(24)21-16-13(18)6-5-7-14(16)19/h3-10H,2,11H2,1H3,(H,21,24).
What are the key properties of 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea has a molecular weight of 330.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 90570690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).