(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one

C111H82F24N16O6 — CID 158634450

About (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one

(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one (PubChem CID 158634450) has the molecular formula C111H82F24N16O6 and a molecular weight of 2191.93 g/mol. Its IUPAC name is (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one
• PubChem CID: 158634450
• Molecular Formula: C111H82F24N16O6
• Molecular Weight: 2191.93 g/mol
• Exact Mass: 2190.62
• IUPAC Name: (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one
• SMILES: C=C1C=C(c2ccc(-c3cc[nH]c(=O)c3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)C=CN1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(-c2cc[nH]c(=O)c2)ccc1-c1cnc2c(c1)C(=O)CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncc(-c2cnc3c(c2)CC=N3)cc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
• InChI: InChI=1S/C39H28F8N6O.C37H27F8N5O3.C35H27F8N5O2/c40-27-9-20(10-28(41)15-27)8-23(13-29(54)19-53-35-32(34(52-53)36(42)43)38(44,45)5-6-39(35,46)47)33-30(26-11-21-2-1-3-31(21)49-18-26)14-25(16-50-33)24-12-22-4-7-48-37(22)51-17-24;38-22-10-18(11-23(39)15-22)9-20(12-24(51)17-50-34-31(33(49-50)35(40)41)36(42,43)6-7-37(34,44)45)32-25(21-13-26-28(47-16-21)3-4-29(26)52)1-2-27(48-32)19-5-8-46-30(53)14-19;1-18-10-20(4-8-44-18)26-2-3-27(21-5-9-45-28(50)15-21)46-30(26)22(11-19-12-23(36)16-24(37)13-19)14-25(49)17-48-32-29(31(47-48)33(38)39)34(40,41)6-7-35(32,42)43/h1-2,7,9-12,14-18,23,36H,3-6,8,13,19H2;1-2,5,8,10-11,13-16,20,35H,3-4,6-7,9,12,17H2,(H,46,53);2-5,8-10,12-13,15-16,22,33,44H,1,6-7,11,14,17H2,(H,45,50)/t23-;20-;22-/m111/s1
• InChIKey: HZPGWCQIZXLBIO-BIGPFZBXSA-N
• XLogP: 25.24
• TPSA: 289.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2191.93
LogP ≤ 5	25.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one?

The IUPAC name of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one (CID 158634450) is (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one.

What is the SMILES notation for (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one?

The canonical SMILES for (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one is C=C1C=C(c2ccc(-c3cc[nH]c(=O)c3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)C=CN1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(-c2cc[nH]c(=O)c2)ccc1-c1cnc2c(c1)C(=O)CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncc(-c2cnc3c(c2)CC=N3)cc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.

What is the InChIKey of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one?

The InChIKey is HZPGWCQIZXLBIO-BIGPFZBXSA-N. The full InChI is InChI=1S/C39H28F8N6O.C37H27F8N5O3.C35H27F8N5O2/c40-27-9-20(10-28(41)15-27)8-23(13-29(54)19-53-35-32(34(52-53)36(42)43)38(44,45)5-6-39(35,46)47)33-30(26-11-21-2-1-3-31(21)49-18-26)14-25(16-50-33)24-12-22-4-7-48-37(22)51-17-24;38-22-10-18(11-23(39)15-22)9-20(12-24(51)17-50-34-31(33(49-50)35(40)41)36(42,43)6-7-37(34,44)45)32-25(21-13-26-28(47-16-21)3-4-29(26)52)1-2-27(48-32)19-5-8-46-30(53)14-19;1-18-10-20(4-8-44-18)26-2-3-27(21-5-9-45-28(50)15-21)46-30(26)22(11-19-12-23(36)16-24(37)13-19)14-25(49)17-48-32-29(31(47-48)33(38)39)34(40,41)6-7-35(32,42)43/h1-2,7,9-12,14-18,23,36H,3-6,8,13,19H2;1-2,5,8,10-11,13-16,20,35H,3-4,6-7,9,12,17H2,(H,46,53);2-5,8-10,12-13,15-16,22,33,44H,1,6-7,11,14,17H2,(H,45,50)/t23-;20-;22-/m111/s1.

What are the key properties of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one?

(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one has a molecular weight of 2191.93 g/mol, XLogP of 25.24, 30 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-5-(3H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;3-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]-6,7-dihydrocyclopenta[b]pyridin-5-one is sourced from PubChem (CID 158634450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).