2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol

C20H16F2N4O — CID 10292321

IUPAC2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1
InChIInChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3
InChIKeyIHDXFSAXAJRBOG-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.96
Rot. Bonds3

About 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol

2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol (PubChem CID 10292321) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol
PubChem CID10292321
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1
InChIInChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3
InChIKeyIHDXFSAXAJRBOG-UHFFFAOYSA-N
XLogP3.96
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol?
The IUPAC name of 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol (CID 10292321) is 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol?
The canonical SMILES for 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol is CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cn4)c3)cnc2n1.
What is the InChIKey of 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol?
The InChIKey is IHDXFSAXAJRBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3.
What are the key properties of 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol?
2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol has a molecular weight of 366.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-fluoro-3-(5-fluoro-2-pyridinyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol is sourced from PubChem (CID 10292321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).