2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine

C15H11ClF2N4 — CID 165131372

IUPAC2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine
SMILESFC(F)(c1cc(Cl)ncn1)c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C15H11ClF2N4/c16-13-5-11(19-8-20-13)15(17,18)12-7-22-6-10(9-1-2-9)3-4-14(22)21-12/h3-9H,1-2H2
InChIKeySEKMWPJESQVECA-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.80
Rot. Bonds3

About 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine

2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine (PubChem CID 165131372) has the molecular formula C15H11ClF2N4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine
PubChem CID165131372
Molecular FormulaC15H11ClF2N4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine
SMILESFC(F)(c1cc(Cl)ncn1)c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C15H11ClF2N4/c16-13-5-11(19-8-20-13)15(17,18)12-7-22-6-10(9-1-2-9)3-4-14(22)21-12/h3-9H,1-2H2
InChIKeySEKMWPJESQVECA-UHFFFAOYSA-N
XLogP3.80
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine (CID 165131372) is 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine is FC(F)(c1cc(Cl)ncn1)c1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine?
The InChIKey is SEKMWPJESQVECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4/c16-13-5-11(19-8-20-13)15(17,18)12-7-22-6-10(9-1-2-9)3-4-14(22)21-12/h3-9H,1-2H2.
What are the key properties of 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine?
2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine has a molecular weight of 320.73 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropylimidazo[1,2-a]pyridine is sourced from PubChem (CID 165131372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).