(2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

C111H112Cl2F10N16O17 — CID 158749268

IUPAC(2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(C)c2F)c2cc(OCC3CC3)ccc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCC3CC3)ccc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2cc(OCC3CC3)ccc12.CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC3CC3)ccc12
InChIInChI=1S/C28H29ClF2N4O4.C28H28ClFN4O4.C28H30F2N4O4.C27H25F5N4O5/c1-16(36)27-21-8-7-20(39-10-9-17-5-6-17)12-23(21)35(33-27)15-25(37)34-14-19(30)11-24(34)28(38)32-13-18-3-2-4-22(29)26(18)31;1-15(35)27-20-8-7-19(38-14-16-5-6-16)11-23(20)33(32-27)13-25(36)34-22-9-18(22)10-24(34)28(37)31-12-17-3-2-4-21(29)26(17)30;1-16-4-3-5-19(26(16)30)12-31-28(37)24-10-20(29)13-33(24)25(36)14-34-23-11-21(38-15-18-6-7-18)8-9-22(23)27(32-34)17(2)35;1-14(37)25-18-8-7-17(40-13-15-5-6-15)10-20(18)36(34-25)12-23(38)35-11-16(28)9-21(35)26(39)33-19-3-2-4-22(24(19)29)41-27(30,31)32/h2-4,7-8,12,17,19,24H,5-6,9-11,13-15H2,1H3,(H,32,38);2-4,7-8,11,16,18,22,24H,5-6,9-10,12-14H2,1H3,(H,31,37);3-5,8-9,11,18,20,24H,6-7,10,12-15H2,1-2H3,(H,31,37);2-4,7-8,10,15-16,21H,5-6,9,11-13H2,1H3,(H,33,39)/t19-,24+;18-,22-,24+;20-,24+;16-,21+/m1111/s1
InChIKeyINGPAPCNKOLLEK-DOGGSLAXSA-N
MW2203.10 g/mol
LogP16.97
Rot. Bonds37

About (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

(2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 158749268) has the molecular formula C111H112Cl2F10N16O17 and a molecular weight of 2203.10 g/mol. Its IUPAC name is (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID158749268
Molecular FormulaC111H112Cl2F10N16O17
Molecular Weight2203.10 g/mol
Exact Mass2200.76
IUPAC Name(2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(C)c2F)c2cc(OCC3CC3)ccc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCC3CC3)ccc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2cc(OCC3CC3)ccc12.CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC3CC3)ccc12
InChIInChI=1S/C28H29ClF2N4O4.C28H28ClFN4O4.C28H30F2N4O4.C27H25F5N4O5/c1-16(36)27-21-8-7-20(39-10-9-17-5-6-17)12-23(21)35(33-27)15-25(37)34-14-19(30)11-24(34)28(38)32-13-18-3-2-4-22(29)26(18)31;1-15(35)27-20-8-7-19(38-14-16-5-6-16)11-23(20)33(32-27)13-25(36)34-22-9-18(22)10-24(34)28(37)31-12-17-3-2-4-21(29)26(17)30;1-16-4-3-5-19(26(16)30)12-31-28(37)24-10-20(29)13-33(24)25(36)14-34-23-11-21(38-15-18-6-7-18)8-9-22(23)27(32-34)17(2)35;1-14(37)25-18-8-7-17(40-13-15-5-6-15)10-20(18)36(34-25)12-23(38)35-11-16(28)9-21(35)26(39)33-19-3-2-4-22(24(19)29)41-27(30,31)32/h2-4,7-8,12,17,19,24H,5-6,9-11,13-15H2,1H3,(H,32,38);2-4,7-8,11,16,18,22,24H,5-6,9-10,12-14H2,1H3,(H,31,37);3-5,8-9,11,18,20,24H,6-7,10,12-15H2,1-2H3,(H,31,37);2-4,7-8,10,15-16,21H,5-6,9,11-13H2,1H3,(H,33,39)/t19-,24+;18-,22-,24+;20-,24+;16-,21+/m1111/s1
InChIKeyINGPAPCNKOLLEK-DOGGSLAXSA-N
XLogP16.97
TPSA383.35 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds37
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002203.10
LogP ≤ 516.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S,4R)-1-[2-(3-acetyl-6-undec-10-enoxyindazol-1-yl)acetyl]-N-[[3-chloro-2-fluoro-5-[(E)-prop-1-enyl]phenyl]methyl]-4-fluoropyrrolidine-2-carboxamide
CID 126622488
(2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 137488076
(3S,5R)-2-[2-[3-[2-[(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-3-yl]-1-hydroxyethyl]-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-[2-[6-(cyclopropylmethoxy)-1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazol-3-yl]-2-oxoethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 137488085
(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 140963499
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 157392529
5-chloro-N-[1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-pyridin-2-ylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 158287762
5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 158657340
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
CID 158741509
1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[2-fluoro-3-(trifluoromethoxy)phenyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-3-(trifluoromethoxy)aniline;1-[2-[(1R,3S,5R)-3-[2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 159273702
N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 159852247
5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylpropyl)-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161369133
5-chloro-N-[1-(4-chlorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methoxyphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-pyridin-2-ylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161882862

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (CID 158749268) is (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(C)c2F)c2cc(OCC3CC3)ccc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCC3CC3)ccc12.CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2cc(OCC3CC3)ccc12.CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC3CC3)ccc12.
What is the InChIKey of (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is INGPAPCNKOLLEK-DOGGSLAXSA-N. The full InChI is InChI=1S/C28H29ClF2N4O4.C28H28ClFN4O4.C28H30F2N4O4.C27H25F5N4O5/c1-16(36)27-21-8-7-20(39-10-9-17-5-6-17)12-23(21)35(33-27)15-25(37)34-14-19(30)11-24(34)28(38)32-13-18-3-2-4-22(29)26(18)31;1-15(35)27-20-8-7-19(38-14-16-5-6-16)11-23(20)33(32-27)13-25(36)34-22-9-18(22)10-24(34)28(37)31-12-17-3-2-4-21(29)26(17)30;1-16-4-3-5-19(26(16)30)12-31-28(37)24-10-20(29)13-33(24)25(36)14-34-23-11-21(38-15-18-6-7-18)8-9-22(23)27(32-34)17(2)35;1-14(37)25-18-8-7-17(40-13-15-5-6-15)10-20(18)36(34-25)12-23(38)35-11-16(28)9-21(35)26(39)33-19-3-2-4-22(24(19)29)41-27(30,31)32/h2-4,7-8,12,17,19,24H,5-6,9-11,13-15H2,1H3,(H,32,38);2-4,7-8,11,16,18,22,24H,5-6,9-10,12-14H2,1H3,(H,31,37);3-5,8-9,11,18,20,24H,6-7,10,12-15H2,1-2H3,(H,31,37);2-4,7-8,10,15-16,21H,5-6,9,11-13H2,1H3,(H,33,39)/t19-,24+;18-,22-,24+;20-,24+;16-,21+/m1111/s1.
What are the key properties of (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
(2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 2203.10 g/mol, XLogP of 16.97, 37 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 158749268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).