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

C91H104F12N22O11 — CID 167653799

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

5-cyclopropyl-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;5-cyclopropyl-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(3,3-difluorocyclobutyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one (PubChem CID 167653799) has the molecular formula C91H104F12N22O11 and a molecular weight of 1909.95 g/mol. Its IUPAC name is 5-cyclopropyl-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;5-cyclopropyl-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(3,3-difluorocyclobutyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 5-cyclopropyl-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;5-cyclopropyl-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(3,3-difluorocyclobutyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one
• PubChem CID: 167653799
• Molecular Formula: C91H104F12N22O11
• Molecular Weight: 1909.95 g/mol
• Exact Mass: 1908.81
• IUPAC Name: 5-cyclopropyl-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;5-cyclopropyl-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(3,3-difluorocyclobutyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one
• SMILES: O=c1c(CC2CCOCC2)c(C2CC(F)(F)C2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CC2CCOCC2)c(C2CC2)[nH]n1-c1cc(C(F)(F)F)[nH]n1.O=c1c(CC2CCOCC2)c(C2CC2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CC2CCOCC2)c(C2CCOCC2)[nH]n1-c1cc(C(F)(F)F)[nH]n1.O=c1c(CCc2ccc(F)cc2)c(C2CCOCC2)[nH]n1-c1cc(C(F)(F)F)[nH]n1
• InChI: InChI=1S/C20H20F4N4O2.C19H21F2N5O2.C18H23F3N4O3.C18H21N5O2.C16H19F3N4O2/c21-14-4-1-12(2-5-14)3-6-15-18(13-7-9-30-10-8-13)27-28(19(15)29)17-11-16(25-26-17)20(22,23)24;20-19(21)9-12(10-19)15-13(8-11-3-6-28-7-4-11)17(27)26(25-15)18-23-14-2-1-5-22-16(14)24-18;19-18(20,21)14-10-15(23-22-14)25-17(26)13(9-11-1-5-27-6-2-11)16(24-25)12-3-7-28-8-4-12;24-17-13(10-11-5-8-25-9-6-11)15(12-3-4-12)22-23(17)18-20-14-2-1-7-19-16(14)21-18;17-16(18,19)12-8-13(21-20-12)23-15(24)11(14(22-23)10-1-2-10)7-9-3-5-25-6-4-9/h1-2,4-5,11,13,27H,3,6-10H2,(H,25,26);1-2,5,11-12,25H,3-4,6-10H2,(H,22,23,24);10-12,24H,1-9H2,(H,22,23);1-2,7,11-12,22H,3-6,8-10H2,(H,19,20,21);8-10,22H,1-7H2,(H,20,21)
• InChIKey: OMWDJNPJHYFCBI-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 413.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1909.95
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 5-cyclopropyl-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;5-cyclopropyl-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(3,3-difluorocyclobutyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one (CID 167653799) is 5-cyclopropyl-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;5-cyclopropyl-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(3,3-difluorocyclobutyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one.

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

The canonical SMILES for 5-cyclopropyl-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;5-cyclopropyl-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(3,3-difluorocyclobutyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one is O=c1c(CC2CCOCC2)c(C2CC(F)(F)C2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CC2CCOCC2)c(C2CC2)[nH]n1-c1cc(C(F)(F)F)[nH]n1.O=c1c(CC2CCOCC2)c(C2CC2)[nH]n1-c1nc2ncccc2[nH]1.O=c1c(CC2CCOCC2)c(C2CCOCC2)[nH]n1-c1cc(C(F)(F)F)[nH]n1.O=c1c(CCc2ccc(F)cc2)c(C2CCOCC2)[nH]n1-c1cc(C(F)(F)F)[nH]n1.

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

The InChIKey is OMWDJNPJHYFCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N4O2.C19H21F2N5O2.C18H23F3N4O3.C18H21N5O2.C16H19F3N4O2/c21-14-4-1-12(2-5-14)3-6-15-18(13-7-9-30-10-8-13)27-28(19(15)29)17-11-16(25-26-17)20(22,23)24;20-19(21)9-12(10-19)15-13(8-11-3-6-28-7-4-11)17(27)26(25-15)18-23-14-2-1-5-22-16(14)24-18;19-18(20,21)14-10-15(23-22-14)25-17(26)13(9-11-1-5-27-6-2-11)16(24-25)12-3-7-28-8-4-12;24-17-13(10-11-5-8-25-9-6-11)15(12-3-4-12)22-23(17)18-20-14-2-1-7-19-16(14)21-18;17-16(18,19)12-8-13(21-20-12)23-15(24)11(14(22-23)10-1-2-10)7-9-3-5-25-6-4-9/h1-2,4-5,11,13,27H,3,6-10H2,(H,25,26);1-2,5,11-12,25H,3-4,6-10H2,(H,22,23,24);10-12,24H,1-9H2,(H,22,23);1-2,7,11-12,22H,3-6,8-10H2,(H,19,20,21);8-10,22H,1-7H2,(H,20,21).

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

5-cyclopropyl-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;5-cyclopropyl-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(3,3-difluorocyclobutyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one has a molecular weight of 1909.95 g/mol, XLogP of 14.45, 21 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;5-cyclopropyl-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(3,3-difluorocyclobutyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one;5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 167653799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).