(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one

C119H86F24N14O5 — CID 157435113

About (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one

(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one (PubChem CID 157435113) has the molecular formula C119H86F24N14O5 and a molecular weight of 2248.04 g/mol. Its IUPAC name is (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one
• PubChem CID: 157435113
• Molecular Formula: C119H86F24N14O5
• Molecular Weight: 2248.04 g/mol
• Exact Mass: 2246.65
• IUPAC Name: (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one
• SMILES: CN1Cc2ccc(-c3cc(C#CC4CC4)cnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3cc(C(F)F)c4c3C(F)(F)CCC4(F)F)cc2C1=O.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(C#Cc2cnc3[nH]ccc3c2)ccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(C#Cc2cncnc2)ccc1-c1ccc2c(c1)C(=O)CC2)Cn1cc(C(F)F)c2c1C(F)(F)CCC2(F)F
• InChI: InChI=1S/C41H28F8N6O.C40H28F8N4O2.C38H30F8N4O2/c42-28-14-23(15-29(43)18-28)13-26(17-31(56)21-55-37-34(36(54-55)38(44)45)40(46,47)9-10-41(37,48)49)35-32(27-16-24-2-1-3-33(24)51-20-27)7-6-30(53-35)5-4-22-12-25-8-11-50-39(25)52-19-22;41-27-12-23(13-28(42)16-27)11-26(14-30(53)19-52-20-33(38(43)44)35-37(52)40(47,48)10-9-39(35,45)46)36-31(25-3-2-24-4-8-34(54)32(24)15-25)7-6-29(51-36)5-1-22-17-49-21-50-18-22;1-49-17-24-7-6-23(14-28(24)36(49)52)27-12-21(5-4-20-2-3-20)16-47-33(27)30(13-22-10-25(39)15-26(40)11-22)48-31(51)19-50-18-29(35(41)42)32-34(50)38(45,46)9-8-37(32,43)44/h1-2,6-8,11-12,14-16,18-20,26,38H,3,9-10,13,17,21H2,(H,50,52);2-3,6-7,12-13,15-18,20-21,26,38H,4,8-11,14,19H2;6-7,10-12,14-16,18,20,30,35H,2-3,8-9,13,17,19H2,1H3,(H,48,51)/t2*26-;30-/m110/s1
• InChIKey: BQZUNDBKWJBSBF-OOOHXPJZSA-N
• XLogP: 26.60
• TPSA: 234.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2248.04
LogP ≤ 5	26.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one?

The IUPAC name of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one (CID 157435113) is (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one.

What is the SMILES notation for (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one?

The canonical SMILES for (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one is CN1Cc2ccc(-c3cc(C#CC4CC4)cnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3cc(C(F)F)c4c3C(F)(F)CCC4(F)F)cc2C1=O.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(C#Cc2cnc3[nH]ccc3c2)ccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(C#Cc2cncnc2)ccc1-c1ccc2c(c1)C(=O)CC2)Cn1cc(C(F)F)c2c1C(F)(F)CCC2(F)F.

What is the InChIKey of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one?

The InChIKey is BQZUNDBKWJBSBF-OOOHXPJZSA-N. The full InChI is InChI=1S/C41H28F8N6O.C40H28F8N4O2.C38H30F8N4O2/c42-28-14-23(15-29(43)18-28)13-26(17-31(56)21-55-37-34(36(54-55)38(44)45)40(46,47)9-10-41(37,48)49)35-32(27-16-24-2-1-3-33(24)51-20-27)7-6-30(53-35)5-4-22-12-25-8-11-50-39(25)52-19-22;41-27-12-23(13-28(42)16-27)11-26(14-30(53)19-52-20-33(38(43)44)35-37(52)40(47,48)10-9-39(35,45)46)36-31(25-3-2-24-4-8-34(54)32(24)15-25)7-6-29(51-36)5-1-22-17-49-21-50-18-22;1-49-17-24-7-6-23(14-28(24)36(49)52)27-12-21(5-4-20-2-3-20)16-47-33(27)30(13-22-10-25(39)15-26(40)11-22)48-31(51)19-50-18-29(35(41)42)32-34(50)38(45,46)9-8-37(32,43)44/h1-2,6-8,11-12,14-16,18-20,26,38H,3,9-10,13,17,21H2,(H,50,52);2-3,6-7,12-13,15-18,20-21,26,38H,4,8-11,14,19H2;6-7,10-12,14-16,18,20,30,35H,2-3,8-9,13,17,19H2,1H3,(H,48,51)/t2*26-;30-/m110/s1.

What are the key properties of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one?

(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one has a molecular weight of 2248.04 g/mol, XLogP of 26.60, 26 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-1-[5-(2-cyclopropylethynyl)-3-(2-methyl-3-oxo-1H-isoindol-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]acetamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-pyrimidin-5-ylethynyl)-3-pyridinyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 157435113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).