2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol

C20H15ClF2N4O — CID 10069600

IUPAC2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccnc(-c4ccc(Cl)c(F)c4)n3)cnc2c1F
InChIInChI=1S/C20H15ClF2N4O/c1-20(2,28)12-6-8-27-16(10-25-19(27)17(12)23)15-5-7-24-18(26-15)11-3-4-13(21)14(22)9-11/h3-10,28H,1-2H3
InChIKeyIKXZJBIIPIVJJF-UHFFFAOYSA-N
MW400.82 g/mol
LogP4.62
Rot. Bonds3

About 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol

2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol (PubChem CID 10069600) has the molecular formula C20H15ClF2N4O and a molecular weight of 400.82 g/mol. Its IUPAC name is 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
PubChem CID10069600
Molecular FormulaC20H15ClF2N4O
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Name2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCC(C)(O)c1ccn2c(-c3ccnc(-c4ccc(Cl)c(F)c4)n3)cnc2c1F
InChIInChI=1S/C20H15ClF2N4O/c1-20(2,28)12-6-8-27-16(10-25-19(27)17(12)23)15-5-7-24-18(26-15)11-3-4-13(21)14(22)9-11/h3-10,28H,1-2H3
InChIKeyIKXZJBIIPIVJJF-UHFFFAOYSA-N
XLogP4.62
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The IUPAC name of 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol (CID 10069600) is 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The canonical SMILES for 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol is CC(C)(O)c1ccn2c(-c3ccnc(-c4ccc(Cl)c(F)c4)n3)cnc2c1F.
What is the InChIKey of 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The InChIKey is IKXZJBIIPIVJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O/c1-20(2,28)12-6-8-27-16(10-25-19(27)17(12)23)15-5-7-24-18(26-15)11-3-4-13(21)14(22)9-11/h3-10,28H,1-2H3.
What are the key properties of 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol?
2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol has a molecular weight of 400.82 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol is sourced from PubChem (CID 10069600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).