3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole

C32H26ClFN4O — CID 121309697

IUPAC3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole
SMILESFc1ccc2onc(C3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ccc(-c6ccccc6)cn45)CC3)c2c1
InChIInChI=1S/C32H26ClFN4O/c33-25-9-6-22(7-10-25)32-28(38-19-24(8-13-30(38)35-32)21-4-2-1-3-5-21)20-37-16-14-23(15-17-37)31-27-18-26(34)11-12-29(27)39-36-31/h1-13,18-19,23H,14-17,20H2
InChIKeyPQYVVJDDNKMTJL-UHFFFAOYSA-N
MW537.04 g/mol
LogP7.98
Rot. Bonds5

About 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole

3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole (PubChem CID 121309697) has the molecular formula C32H26ClFN4O and a molecular weight of 537.04 g/mol. Its IUPAC name is 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole.

Molecular Properties

Compound Name3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole
PubChem CID121309697
Molecular FormulaC32H26ClFN4O
Molecular Weight537.04 g/mol
Exact Mass536.18
IUPAC Name3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole
SMILESFc1ccc2onc(C3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ccc(-c6ccccc6)cn45)CC3)c2c1
InChIInChI=1S/C32H26ClFN4O/c33-25-9-6-22(7-10-25)32-28(38-19-24(8-13-30(38)35-32)21-4-2-1-3-5-21)20-37-16-14-23(15-17-37)31-27-18-26(34)11-12-29(27)39-36-31/h1-13,18-19,23H,14-17,20H2
InChIKeyPQYVVJDDNKMTJL-UHFFFAOYSA-N
XLogP7.98
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.04
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole?
The IUPAC name of 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole (CID 121309697) is 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole.
What is the SMILES notation for 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole?
The canonical SMILES for 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole is Fc1ccc2onc(C3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ccc(-c6ccccc6)cn45)CC3)c2c1.
What is the InChIKey of 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole?
The InChIKey is PQYVVJDDNKMTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClFN4O/c33-25-9-6-22(7-10-25)32-28(38-19-24(8-13-30(38)35-32)21-4-2-1-3-5-21)20-37-16-14-23(15-17-37)31-27-18-26(34)11-12-29(27)39-36-31/h1-13,18-19,23H,14-17,20H2.
What are the key properties of 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole?
3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole has a molecular weight of 537.04 g/mol, XLogP of 7.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole is sourced from PubChem (CID 121309697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).