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

C23H21ClFN5O — CID 139344897

IUPAC[1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol
SMILESOCC1(c2ccccc2)CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C23H21ClFN5O/c24-17-13-30-19(12-27-21(30)11-18(17)25)22-26-9-7-20(28-22)29-10-4-8-23(14-29,15-31)16-5-2-1-3-6-16/h1-3,5-7,9,11-13,31H,4,8,10,14-15H2
InChIKeyQPUAOUNYUKACEH-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.11
Rot. Bonds4

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

[1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol (PubChem CID 139344897) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is [1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol
PubChem CID139344897
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC Name[1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol
SMILESOCC1(c2ccccc2)CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C23H21ClFN5O/c24-17-13-30-19(12-27-21(30)11-18(17)25)22-26-9-7-20(28-22)29-10-4-8-23(14-29,15-31)16-5-2-1-3-6-16/h1-3,5-7,9,11-13,31H,4,8,10,14-15H2
InChIKeyQPUAOUNYUKACEH-UHFFFAOYSA-N
XLogP4.11
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.11
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-yl]methanol?
The IUPAC name of [1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol (CID 139344897) is [1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol is OCC1(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-yl]methanol?
The InChIKey is QPUAOUNYUKACEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c24-17-13-30-19(12-27-21(30)11-18(17)25)22-26-9-7-20(28-22)29-10-4-8-23(14-29,15-31)16-5-2-1-3-6-16/h1-3,5-7,9,11-13,31H,4,8,10,14-15H2.
What are the key properties of [1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol?
[1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-3-yl]methanol has a molecular weight of 437.91 g/mol, XLogP of 4.11, 4 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-yl]methanol is sourced from PubChem (CID 139344897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).