3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

C28H25F2N5O — CID 167639332

IUPAC3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccn3c(-c4cc(CC5CCOCC5)nc(-c5ccc(F)cc5F)c4)cnc3c2)cn1
InChIInChI=1S/C28H25F2N5O/c1-34-17-21(15-32-34)19-4-7-35-27(16-31-28(35)13-19)20-11-23(10-18-5-8-36-9-6-18)33-26(12-20)24-3-2-22(29)14-25(24)30/h2-4,7,11-18H,5-6,8-10H2,1H3
InChIKeyOYALKDZBTHPJFI-UHFFFAOYSA-N
MW485.54 g/mol
LogP5.71
Rot. Bonds5

About 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (PubChem CID 167639332) has the molecular formula C28H25F2N5O and a molecular weight of 485.54 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
PubChem CID167639332
Molecular FormulaC28H25F2N5O
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccn3c(-c4cc(CC5CCOCC5)nc(-c5ccc(F)cc5F)c4)cnc3c2)cn1
InChIInChI=1S/C28H25F2N5O/c1-34-17-21(15-32-34)19-4-7-35-27(16-31-28(35)13-19)20-11-23(10-18-5-8-36-9-6-18)33-26(12-20)24-3-2-22(29)14-25(24)30/h2-4,7,11-18H,5-6,8-10H2,1H3
InChIKeyOYALKDZBTHPJFI-UHFFFAOYSA-N
XLogP5.71
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (CID 167639332) is 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is Cn1cc(-c2ccn3c(-c4cc(CC5CCOCC5)nc(-c5ccc(F)cc5F)c4)cnc3c2)cn1.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is OYALKDZBTHPJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5O/c1-34-17-21(15-32-34)19-4-7-35-27(16-31-28(35)13-19)20-11-23(10-18-5-8-36-9-6-18)33-26(12-20)24-3-2-22(29)14-25(24)30/h2-4,7,11-18H,5-6,8-10H2,1H3.
What are the key properties of 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 485.54 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-6-(oxan-4-ylmethyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 167639332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).