7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine

C19H13F3N4 — CID 10269530

IUPAC7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
SMILESCC(F)(F)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1
InChIInChI=1S/C19H13F3N4/c1-19(21,22)17-6-9-26-16(11-24-18(26)25-17)13-2-3-15(20)14(10-13)12-4-7-23-8-5-12/h2-11H,1H3
InChIKeyGXGASOWVXWORBL-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.71
Rot. Bonds3

About 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine

7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 10269530) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID10269530
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
SMILESCC(F)(F)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1
InChIInChI=1S/C19H13F3N4/c1-19(21,22)17-6-9-26-16(11-24-18(26)25-17)13-2-3-15(20)14(10-13)12-4-7-23-8-5-12/h2-11H,1H3
InChIKeyGXGASOWVXWORBL-UHFFFAOYSA-N
XLogP4.71
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine (CID 10269530) is 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine is CC(F)(F)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1.
What is the InChIKey of 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is GXGASOWVXWORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c1-19(21,22)17-6-9-26-16(11-24-18(26)25-17)13-2-3-15(20)14(10-13)12-4-7-23-8-5-12/h2-11H,1H3.
What are the key properties of 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine?
7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 354.34 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 10269530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).