4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one

C87H87F3N20O10S — CID 167679040

About 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one

4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one (PubChem CID 167679040) has the molecular formula C87H87F3N20O10S and a molecular weight of 1661.84 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one
• PubChem CID: 167679040
• Molecular Formula: C87H87F3N20O10S
• Molecular Weight: 1661.84 g/mol
• Exact Mass: 1660.66
• IUPAC Name: 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one
• SMILES: CS(=O)(=O)c1cccc(-c2[nH]n(-c3nc4ncccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)c1.O=c1c(CC2CCOCC2)c(-c2ccc(F)cc2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CC2CCOCC2)c(C2CCOCC2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CCOCC2)[nH]n1-c1nc2ncccc2[nH]1
• InChI: InChI=1S/C24H20FN5O3S.C22H22FN5O2.C21H20FN5O2.C20H25N5O3/c1-34(32,33)18-5-2-4-16(14-18)21-19(12-9-15-7-10-17(25)11-8-15)23(31)30(29-21)24-27-20-6-3-13-26-22(20)28-24;23-16-6-3-14(4-7-16)5-8-17-19(15-9-12-30-13-10-15)27-28(21(17)29)22-25-18-2-1-11-24-20(18)26-22;22-15-5-3-14(4-6-15)18-16(12-13-7-10-29-11-8-13)20(28)27(26-18)21-24-17-2-1-9-23-19(17)25-21;26-19-15(12-13-3-8-27-9-4-13)17(14-5-10-28-11-6-14)24-25(19)20-22-16-2-1-7-21-18(16)23-20/h2-8,10-11,13-14,29H,9,12H2,1H3,(H,26,27,28);1-4,6-7,11,15,27H,5,8-10,12-13H2,(H,24,25,26);1-6,9,13,26H,7-8,10-12H2,(H,23,24,25);1-2,7,13-14,24H,3-6,8-12H2,(H,21,22,23)
• InChIKey: NUAJTXKMOPPEBP-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 388.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1661.84
LogP ≤ 5	12.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one?

The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one (CID 167679040) is 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one.

What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one?

The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one is CS(=O)(=O)c1cccc(-c2[nH]n(-c3nc4ncccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)c1.O=c1c(CC2CCOCC2)c(-c2ccc(F)cc2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CC2CCOCC2)c(C2CCOCC2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CCOCC2)[nH]n1-c1nc2ncccc2[nH]1.

What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one?

The InChIKey is NUAJTXKMOPPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3S.C22H22FN5O2.C21H20FN5O2.C20H25N5O3/c1-34(32,33)18-5-2-4-16(14-18)21-19(12-9-15-7-10-17(25)11-8-15)23(31)30(29-21)24-27-20-6-3-13-26-22(20)28-24;23-16-6-3-14(4-7-16)5-8-17-19(15-9-12-30-13-10-15)27-28(21(17)29)22-25-18-2-1-11-24-20(18)26-22;22-15-5-3-14(4-6-15)18-16(12-13-7-10-29-11-8-13)20(28)27(26-18)21-24-17-2-1-9-23-19(17)25-21;26-19-15(12-13-3-8-27-9-4-13)17(14-5-10-28-11-6-14)24-25(19)20-22-16-2-1-7-21-18(16)23-20/h2-8,10-11,13-14,29H,9,12H2,1H3,(H,26,27,28);1-4,6-7,11,15,27H,5,8-10,12-13H2,(H,24,25,26);1-6,9,13,26H,7-8,10-12H2,(H,23,24,25);1-2,7,13-14,24H,3-6,8-12H2,(H,21,22,23).

What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one?

4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one has a molecular weight of 1661.84 g/mol, XLogP of 12.20, 19 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 167679040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).