5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one

C149H120F30N16O10 — CID 160711646

IUPAC5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one
SMILESC=C1NC=Nc2c1cccc2-c1ccc(C#CC(C)(C)O)nc1[C@@H](CC(=O)Cn1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21)Cc1cc(F)cc(F)c1.CC(C)(O)C#CC1=CCC(c2ccc3c(c2)C(=O)CC32CC2)C([C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)=N1.CC(C)(O)C#Cc1cnc([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)c(-c2ccc3c(c2)C(=O)CC3)c1.NC(=O)c1ccc(-c2cnc3c(c2)C=CC3)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C40H34F7N3O3.C38H31F8N3O3.C38H30F7N5O2.C33H25F8N5O2/c1-37(2,53)8-7-25-4-5-27(21-3-6-30-28(15-21)32(52)18-38(30)9-10-38)34(48-25)22(11-20-12-23(41)16-24(42)13-20)14-26(51)19-50-36-33(35(49-50)40(45,46)47)29-17-31(29)39(36,43)44;1-36(2,52)8-7-20-14-29(23-4-3-22-5-6-30(51)28(22)16-23)32(47-18-20)24(11-21-12-25(39)17-26(40)13-21)15-27(50)19-49-34-31(33(48-49)35(41)42)37(43,44)9-10-38(34,45)46;1-19-26-5-4-6-27(33(26)47-18-46-19)28-8-7-24(9-10-36(2,3)52)48-32(28)21(11-20-12-22(39)15-23(40)13-20)14-25(51)17-50-35-31(34(49-50)38(43,44)45)29-16-30(29)37(35,41)42;34-20-9-16(10-21(35)13-20)8-18(27-23(4-5-25(44-27)31(42)48)19-11-17-2-1-3-24(17)43-14-19)12-22(47)15-46-29-26(28(45-46)30(36)37)32(38,39)6-7-33(29,40)41/h3-4,6,12-13,15-16,22,27,29,31,53H,5,9-11,14,17-19H2,1-2H3;3-4,12-14,16-18,24,35,52H,5-6,9-11,15,19H2,1-2H3;4-8,12-13,15,18,21,29-30,52H,1,11,14,16-17H2,2-3H3,(H,46,47);1-2,4-5,9-11,13-14,18,30H,3,6-8,12,15H2,(H2,42,48)/t22-,27?,29+,31-;24-;21-,29+,30-;18-/m1111/s1
InChIKeyRRYAPLGXBHVXQL-YDKUAAFSSA-N
MW2864.64 g/mol
LogP31.47
Rot. Bonds35

About 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one

5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one (PubChem CID 160711646) has the molecular formula C149H120F30N16O10 and a molecular weight of 2864.64 g/mol. Its IUPAC name is 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one
PubChem CID160711646
Molecular FormulaC149H120F30N16O10
Molecular Weight2864.64 g/mol
Exact Mass2862.89
IUPAC Name5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one
SMILESC=C1NC=Nc2c1cccc2-c1ccc(C#CC(C)(C)O)nc1[C@@H](CC(=O)Cn1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21)Cc1cc(F)cc(F)c1.CC(C)(O)C#CC1=CCC(c2ccc3c(c2)C(=O)CC32CC2)C([C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)=N1.CC(C)(O)C#Cc1cnc([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)c(-c2ccc3c(c2)C(=O)CC3)c1.NC(=O)c1ccc(-c2cnc3c(c2)C=CC3)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C40H34F7N3O3.C38H31F8N3O3.C38H30F7N5O2.C33H25F8N5O2/c1-37(2,53)8-7-25-4-5-27(21-3-6-30-28(15-21)32(52)18-38(30)9-10-38)34(48-25)22(11-20-12-23(41)16-24(42)13-20)14-26(51)19-50-36-33(35(49-50)40(45,46)47)29-17-31(29)39(36,43)44;1-36(2,52)8-7-20-14-29(23-4-3-22-5-6-30(51)28(22)16-23)32(47-18-20)24(11-21-12-25(39)17-26(40)13-21)15-27(50)19-49-34-31(33(48-49)35(41)42)37(43,44)9-10-38(34,45)46;1-19-26-5-4-6-27(33(26)47-18-46-19)28-8-7-24(9-10-36(2,3)52)48-32(28)21(11-20-12-22(39)15-23(40)13-20)14-25(51)17-50-35-31(34(49-50)38(43,44)45)29-16-30(29)37(35,41)42;34-20-9-16(10-21(35)13-20)8-18(27-23(4-5-25(44-27)31(42)48)19-11-17-2-1-3-24(17)43-14-19)12-22(47)15-46-29-26(28(45-46)30(36)37)32(38,39)6-7-33(29,40)41/h3-4,6,12-13,15-16,22,27,29,31,53H,5,9-11,14,17-19H2,1-2H3;3-4,12-14,16-18,24,35,52H,5-6,9-11,15,19H2,1-2H3;4-8,12-13,15,18,21,29-30,52H,1,11,14,16-17H2,2-3H3,(H,46,47);1-2,4-5,9-11,13-14,18,30H,3,6-8,12,15H2,(H2,42,48)/t22-,27?,29+,31-;24-;21-,29+,30-;18-/m1111/s1
InChIKeyRRYAPLGXBHVXQL-YDKUAAFSSA-N
XLogP31.47
TPSA365.79 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms205
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002864.64
LogP ≤ 531.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one?
The IUPAC name of 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one (CID 160711646) is 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one.
What is the SMILES notation for 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one?
The canonical SMILES for 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one is C=C1NC=Nc2c1cccc2-c1ccc(C#CC(C)(C)O)nc1[C@@H](CC(=O)Cn1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21)Cc1cc(F)cc(F)c1.CC(C)(O)C#CC1=CCC(c2ccc3c(c2)C(=O)CC32CC2)C([C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)=N1.CC(C)(O)C#Cc1cnc([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)c(-c2ccc3c(c2)C(=O)CC3)c1.NC(=O)c1ccc(-c2cnc3c(c2)C=CC3)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one?
The InChIKey is RRYAPLGXBHVXQL-YDKUAAFSSA-N. The full InChI is InChI=1S/C40H34F7N3O3.C38H31F8N3O3.C38H30F7N5O2.C33H25F8N5O2/c1-37(2,53)8-7-25-4-5-27(21-3-6-30-28(15-21)32(52)18-38(30)9-10-38)34(48-25)22(11-20-12-23(41)16-24(42)13-20)14-26(51)19-50-36-33(35(49-50)40(45,46)47)29-17-31(29)39(36,43)44;1-36(2,52)8-7-20-14-29(23-4-3-22-5-6-30(51)28(22)16-23)32(47-18-20)24(11-21-12-25(39)17-26(40)13-21)15-27(50)19-49-34-31(33(48-49)35(41)42)37(43,44)9-10-38(34,45)46;1-19-26-5-4-6-27(33(26)47-18-46-19)28-8-7-24(9-10-36(2,3)52)48-32(28)21(11-20-12-22(39)15-23(40)13-20)14-25(51)17-50-35-31(34(49-50)38(43,44)45)29-16-30(29)37(35,41)42;34-20-9-16(10-21(35)13-20)8-18(27-23(4-5-25(44-27)31(42)48)19-11-17-2-1-3-24(17)43-14-19)12-22(47)15-46-29-26(28(45-46)30(36)37)32(38,39)6-7-33(29,40)41/h3-4,6,12-13,15-16,22,27,29,31,53H,5,9-11,14,17-19H2,1-2H3;3-4,12-14,16-18,24,35,52H,5-6,9-11,15,19H2,1-2H3;4-8,12-13,15,18,21,29-30,52H,1,11,14,16-17H2,2-3H3,(H,46,47);1-2,4-5,9-11,13-14,18,30H,3,6-8,12,15H2,(H2,42,48)/t22-,27?,29+,31-;24-;21-,29+,30-;18-/m1111/s1.
What are the key properties of 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one?
5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one has a molecular weight of 2864.64 g/mol, XLogP of 31.47, 35 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-cyclopenta[b]pyridin-3-yl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(4-methylidene-3H-quinazolin-8-yl)-2-pyridinyl]pentan-2-one;6-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3,4-dihydropyridin-3-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one is sourced from PubChem (CID 160711646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).