2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine

C15H13ClF2N4 — CID 165131236

IUPAC2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine
SMILESFC(F)(c1cc(Cl)ncn1)c1cn2c(n1)CCC(C1CC1)=C2
InChIInChI=1S/C15H13ClF2N4/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/h5-9H,1-4H2
InChIKeyHYZNNQJPKJPBQY-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.66
Rot. Bonds3

About 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine

2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine (PubChem CID 165131236) has the molecular formula C15H13ClF2N4 and a molecular weight of 322.75 g/mol. Its IUPAC name is 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine
PubChem CID165131236
Molecular FormulaC15H13ClF2N4
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine
SMILESFC(F)(c1cc(Cl)ncn1)c1cn2c(n1)CCC(C1CC1)=C2
InChIInChI=1S/C15H13ClF2N4/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/h5-9H,1-4H2
InChIKeyHYZNNQJPKJPBQY-UHFFFAOYSA-N
XLogP3.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.66
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-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine (CID 165131236) is 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine is FC(F)(c1cc(Cl)ncn1)c1cn2c(n1)CCC(C1CC1)=C2.
What is the InChIKey of 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine?
The InChIKey is HYZNNQJPKJPBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N4/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/h5-9H,1-4H2.
What are the key properties of 2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine?
2-[(6-chloropyrimidin-4-yl)-difluoromethyl]-6-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine has a molecular weight of 322.75 g/mol, XLogP of 3.66, 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-cyclopropyl-7,8-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 165131236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).