1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

C154H143ClF24N42O8S2 — CID 167554210

IUPAC1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCOc1cc(Cl)cc(C(=O)N2CCc3c(nn(C)c3-c3cc(C(F)(F)F)nn3C)[C@@H]2C)c1.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)n(C)n3)c2CCN1C(=O)c1ccc2ncccc2c1.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1c(F)cnc2c1ccn2C.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1ccc2ncsc2c1.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cccc2ccsc12.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnn2cccc(F)c12.Cc1cc(C(=O)N2CCc3c(nn(C)c3-c3cc(C(F)(F)F)n(C)n3)[C@@H]2C)c2cc(F)ccc2n1
InChIInChI=1S/C24H22F4N6O.C23H21F3N6O.C22H21F4N7O.C22H20F3N5OS.C21H21ClF3N5O2.C21H19F4N7O.C21H19F3N6OS/c1-12-9-17(16-10-14(25)5-6-18(16)29-12)23(35)34-8-7-15-21(13(34)2)31-33(4)22(15)19-11-20(24(26,27)28)32(3)30-19;1-13-20-16(21(31(3)29-20)18-12-19(23(24,25)26)30(2)28-18)8-10-32(13)22(33)15-6-7-17-14(11-15)5-4-9-27-17;1-11-18-13(19(32(4)29-18)15-9-16(22(24,25)26)28-31(15)3)6-8-33(11)21(34)17-12-5-7-30(2)20(12)27-10-14(17)23;1-12-18-14(19(29(3)27-18)16-11-17(22(23,24)25)26-28(16)2)7-9-30(12)21(31)15-6-4-5-13-8-10-32-20(13)15;1-11-18-15(5-6-30(11)20(31)12-7-13(22)9-14(8-12)32-4)19(29(3)27-18)16-10-17(21(23,24)25)26-28(16)2;1-11-17-12(19(30(3)28-17)15-9-16(21(23,24)25)27-29(15)2)6-8-31(11)20(33)13-10-26-32-7-4-5-14(22)18(13)32;1-11-18-13(19(29(3)27-18)15-9-17(21(22,23)24)26-28(15)2)6-7-30(11)20(31)12-4-5-14-16(8-12)32-10-25-14/h5-6,9-11,13H,7-8H2,1-4H3;4-7,9,11-13H,8,10H2,1-3H3;5,7,9-11H,6,8H2,1-4H3;4-6,8,10-12H,7,9H2,1-3H3;7-11H,5-6H2,1-4H3;4-5,7,9-11H,6,8H2,1-3H3;4-5,8-11H,6-7H2,1-3H3/t2*13-;11-;12-;3*11-/m0000000/s1
InChIKeyCUIMGQKEUMHOJL-HIQOVEHRSA-N
MW3265.66 g/mol
LogP29.04
Rot. Bonds15

About 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (PubChem CID 167554210) has the molecular formula C154H143ClF24N42O8S2 and a molecular weight of 3265.66 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
PubChem CID167554210
Molecular FormulaC154H143ClF24N42O8S2
Molecular Weight3265.66 g/mol
Exact Mass3263.08
IUPAC Name1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCOc1cc(Cl)cc(C(=O)N2CCc3c(nn(C)c3-c3cc(C(F)(F)F)nn3C)[C@@H]2C)c1.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)n(C)n3)c2CCN1C(=O)c1ccc2ncccc2c1.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1c(F)cnc2c1ccn2C.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1ccc2ncsc2c1.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cccc2ccsc12.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnn2cccc(F)c12.Cc1cc(C(=O)N2CCc3c(nn(C)c3-c3cc(C(F)(F)F)n(C)n3)[C@@H]2C)c2cc(F)ccc2n1
InChIInChI=1S/C24H22F4N6O.C23H21F3N6O.C22H21F4N7O.C22H20F3N5OS.C21H21ClF3N5O2.C21H19F4N7O.C21H19F3N6OS/c1-12-9-17(16-10-14(25)5-6-18(16)29-12)23(35)34-8-7-15-21(13(34)2)31-33(4)22(15)19-11-20(24(26,27)28)32(3)30-19;1-13-20-16(21(31(3)29-20)18-12-19(23(24,25)26)30(2)28-18)8-10-32(13)22(33)15-6-7-17-14(11-15)5-4-9-27-17;1-11-18-13(19(32(4)29-18)15-9-16(22(24,25)26)28-31(15)3)6-8-33(11)21(34)17-12-5-7-30(2)20(12)27-10-14(17)23;1-12-18-14(19(29(3)27-18)16-11-17(22(23,24)25)26-28(16)2)7-9-30(12)21(31)15-6-4-5-13-8-10-32-20(13)15;1-11-18-15(5-6-30(11)20(31)12-7-13(22)9-14(8-12)32-4)19(29(3)27-18)16-10-17(21(23,24)25)26-28(16)2;1-11-17-12(19(30(3)28-17)15-9-16(21(23,24)25)27-29(15)2)6-8-31(11)20(33)13-10-26-32-7-4-5-14(22)18(13)32;1-11-18-13(19(29(3)27-18)15-9-17(21(22,23)24)26-28(15)2)6-7-30(11)20(31)12-4-5-14-16(8-12)32-10-25-14/h5-6,9-11,13H,7-8H2,1-4H3;4-7,9,11-13H,8,10H2,1-3H3;5,7,9-11H,6,8H2,1-4H3;4-6,8,10-12H,7,9H2,1-3H3;7-11H,5-6H2,1-4H3;4-5,7,9-11H,6,8H2,1-3H3;4-5,8-11H,6-7H2,1-3H3/t2*13-;11-;12-;3*11-/m0000000/s1
InChIKeyCUIMGQKEUMHOJL-HIQOVEHRSA-N
XLogP29.04
TPSA474.67 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds15
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003265.66
LogP ≤ 529.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (CID 167554210) is 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is COc1cc(Cl)cc(C(=O)N2CCc3c(nn(C)c3-c3cc(C(F)(F)F)nn3C)[C@@H]2C)c1.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)n(C)n3)c2CCN1C(=O)c1ccc2ncccc2c1.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1c(F)cnc2c1ccn2C.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1ccc2ncsc2c1.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cccc2ccsc12.C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnn2cccc(F)c12.Cc1cc(C(=O)N2CCc3c(nn(C)c3-c3cc(C(F)(F)F)n(C)n3)[C@@H]2C)c2cc(F)ccc2n1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The InChIKey is CUIMGQKEUMHOJL-HIQOVEHRSA-N. The full InChI is InChI=1S/C24H22F4N6O.C23H21F3N6O.C22H21F4N7O.C22H20F3N5OS.C21H21ClF3N5O2.C21H19F4N7O.C21H19F3N6OS/c1-12-9-17(16-10-14(25)5-6-18(16)29-12)23(35)34-8-7-15-21(13(34)2)31-33(4)22(15)19-11-20(24(26,27)28)32(3)30-19;1-13-20-16(21(31(3)29-20)18-12-19(23(24,25)26)30(2)28-18)8-10-32(13)22(33)15-6-7-17-14(11-15)5-4-9-27-17;1-11-18-13(19(32(4)29-18)15-9-16(22(24,25)26)28-31(15)3)6-8-33(11)21(34)17-12-5-7-30(2)20(12)27-10-14(17)23;1-12-18-14(19(29(3)27-18)16-11-17(22(23,24)25)26-28(16)2)7-9-30(12)21(31)15-6-4-5-13-8-10-32-20(13)15;1-11-18-15(5-6-30(11)20(31)12-7-13(22)9-14(8-12)32-4)19(29(3)27-18)16-10-17(21(23,24)25)26-28(16)2;1-11-17-12(19(30(3)28-17)15-9-16(21(23,24)25)27-29(15)2)6-8-31(11)20(33)13-10-26-32-7-4-5-14(22)18(13)32;1-11-18-13(19(29(3)27-18)15-9-17(21(22,23)24)26-28(15)2)6-7-30(11)20(31)12-4-5-14-16(8-12)32-10-25-14/h5-6,9-11,13H,7-8H2,1-4H3;4-7,9,11-13H,8,10H2,1-3H3;5,7,9-11H,6,8H2,1-4H3;4-6,8,10-12H,7,9H2,1-3H3;7-11H,5-6H2,1-4H3;4-5,7,9-11H,6,8H2,1-3H3;4-5,8-11H,6-7H2,1-3H3/t2*13-;11-;12-;3*11-/m0000000/s1.
What are the key properties of 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone has a molecular weight of 3265.66 g/mol, XLogP of 29.04, 15 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;1-benzothiophen-7-yl-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(3-chloro-5-methoxyphenyl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone;[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 167554210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).