6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole

C45H40F2N12O2 — CID 158800890

IUPAC6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole
SMILESCN1CCC(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1.Fc1ccc(-c2nc3occn3c2-c2ccc3nnc(C4CCNCC4)n3c2)cc1
InChIInChI=1S/C23H21FN6O.C22H19FN6O/c1-28-10-8-16(9-11-28)22-27-26-19-7-4-17(14-30(19)22)21-20(15-2-5-18(24)6-3-15)25-23-29(21)12-13-31-23;23-17-4-1-14(2-5-17)19-20(28-11-12-30-22(28)25-19)16-3-6-18-26-27-21(29(18)13-16)15-7-9-24-10-8-15/h2-7,12-14,16H,8-11H2,1H3;1-6,11-13,15,24H,7-10H2
InChIKeyITLVQCWPGKAPQQ-UHFFFAOYSA-N
MW818.89 g/mol
LogP8.16
Rot. Bonds6

About 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole

6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 158800890) has the molecular formula C45H40F2N12O2 and a molecular weight of 818.89 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID158800890
Molecular FormulaC45H40F2N12O2
Molecular Weight818.89 g/mol
Exact Mass818.34
IUPAC Name6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole
SMILESCN1CCC(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1.Fc1ccc(-c2nc3occn3c2-c2ccc3nnc(C4CCNCC4)n3c2)cc1
InChIInChI=1S/C23H21FN6O.C22H19FN6O/c1-28-10-8-16(9-11-28)22-27-26-19-7-4-17(14-30(19)22)21-20(15-2-5-18(24)6-3-15)25-23-29(21)12-13-31-23;23-17-4-1-14(2-5-17)19-20(28-11-12-30-22(28)25-19)16-3-6-18-26-27-21(29(18)13-16)15-7-9-24-10-8-15/h2-7,12-14,16H,8-11H2,1H3;1-6,11-13,15,24H,7-10H2
InChIKeyITLVQCWPGKAPQQ-UHFFFAOYSA-N
XLogP8.16
TPSA136.53 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500818.89
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole (CID 158800890) is 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole is CN1CCC(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1.Fc1ccc(-c2nc3occn3c2-c2ccc3nnc(C4CCNCC4)n3c2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is ITLVQCWPGKAPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O.C22H19FN6O/c1-28-10-8-16(9-11-28)22-27-26-19-7-4-17(14-30(19)22)21-20(15-2-5-18(24)6-3-15)25-23-29(21)12-13-31-23;23-17-4-1-14(2-5-17)19-20(28-11-12-30-22(28)25-19)16-3-6-18-26-27-21(29(18)13-16)15-7-9-24-10-8-15/h2-7,12-14,16H,8-11H2,1H3;1-6,11-13,15,24H,7-10H2.
What are the key properties of 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 818.89 g/mol, XLogP of 8.16, 6 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 158800890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).