1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol

C22H19ClFN5O — CID 139344723

IUPAC1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol
SMILESOC1(c2ccccc2)CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C22H19ClFN5O/c23-16-13-29-18(12-26-20(29)11-17(16)24)21-25-9-7-19(27-21)28-10-4-8-22(30,14-28)15-5-2-1-3-6-15/h1-3,5-7,9,11-13,30H,4,8,10,14H2
InChIKeyWXSLPECPJMSPLK-UHFFFAOYSA-N
MW423.88 g/mol
LogP4.07
Rot. Bonds3

About 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol

1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol (PubChem CID 139344723) has the molecular formula C22H19ClFN5O and a molecular weight of 423.88 g/mol. Its IUPAC name is 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol
PubChem CID139344723
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC Name1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol
SMILESOC1(c2ccccc2)CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C22H19ClFN5O/c23-16-13-29-18(12-26-20(29)11-17(16)24)21-25-9-7-19(27-21)28-10-4-8-22(30,14-28)15-5-2-1-3-6-15/h1-3,5-7,9,11-13,30H,4,8,10,14H2
InChIKeyWXSLPECPJMSPLK-UHFFFAOYSA-N
XLogP4.07
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol?
The IUPAC name of 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol (CID 139344723) is 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol?
The canonical SMILES for 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol is OC1(c2ccccc2)CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.
What is the InChIKey of 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol?
The InChIKey is WXSLPECPJMSPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c23-16-13-29-18(12-26-20(29)11-17(16)24)21-25-9-7-19(27-21)28-10-4-8-22(30,14-28)15-5-2-1-3-6-15/h1-3,5-7,9,11-13,30H,4,8,10,14H2.
What are the key properties of 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol?
1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol has a molecular weight of 423.88 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-ol is sourced from PubChem (CID 139344723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).