N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C126H114F13N19O9 — CID 158541744

IUPACN-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(=O)NC3CC3)cc2C(C)C)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cccc(C)c23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C33H33F3N6O3.C32H28F2N4O2.C31H26F2N4O2.C30H27F6N5O2/c1-18(2)29-16-28(33(45)39-23-7-8-23)41-42(29)17-30(43)40-27(13-19-11-21(34)15-22(35)12-19)31-24(5-4-10-38-31)20-6-9-26(36)25(14-20)32(44)37-3;1-19-6-3-10-27-30(19)23(18-37-27)16-29(39)38-28(14-20-12-24(33)17-25(34)13-20)31-26(9-5-11-36-31)21-7-4-8-22(15-21)32(40)35-2;1-34-31(39)21-7-4-6-20(15-21)26-9-5-11-35-30(26)28(14-19-12-23(32)17-24(33)13-19)37-29(38)16-22-18-36-27-10-3-2-8-25(22)27;1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3/h4-6,9-12,14-16,18,23,27H,7-8,13,17H2,1-3H3,(H,37,44)(H,39,45)(H,40,43);3-13,15,17-18,28,37H,14,16H2,1-2H3,(H,35,40)(H,38,39);2-13,15,17-18,28,36H,14,16H2,1H3,(H,34,39)(H,37,38);4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43)/t27-;2*28-;24-,27?/m0000/s1
InChIKeyHOPIYMOVGQZLJW-AMZAMLQSSA-N
MW2285.40 g/mol
LogP22.21
Rot. Bonds36

About N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 158541744) has the molecular formula C126H114F13N19O9 and a molecular weight of 2285.40 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID158541744
Molecular FormulaC126H114F13N19O9
Molecular Weight2285.40 g/mol
Exact Mass2283.88
IUPAC NameN-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(=O)NC3CC3)cc2C(C)C)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cccc(C)c23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C33H33F3N6O3.C32H28F2N4O2.C31H26F2N4O2.C30H27F6N5O2/c1-18(2)29-16-28(33(45)39-23-7-8-23)41-42(29)17-30(43)40-27(13-19-11-21(34)15-22(35)12-19)31-24(5-4-10-38-31)20-6-9-26(36)25(14-20)32(44)37-3;1-19-6-3-10-27-30(19)23(18-37-27)16-29(39)38-28(14-20-12-24(33)17-25(34)13-20)31-26(9-5-11-36-31)21-7-4-8-22(15-21)32(40)35-2;1-34-31(39)21-7-4-6-20(15-21)26-9-5-11-35-30(26)28(14-19-12-23(32)17-24(33)13-19)37-29(38)16-22-18-36-27-10-3-2-8-25(22)27;1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3/h4-6,9-12,14-16,18,23,27H,7-8,13,17H2,1-3H3,(H,37,44)(H,39,45)(H,40,43);3-13,15,17-18,28,37H,14,16H2,1-2H3,(H,35,40)(H,38,39);2-13,15,17-18,28,36H,14,16H2,1H3,(H,34,39)(H,37,38);4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43)/t27-;2*28-;24-,27?/m0000/s1
InChIKeyHOPIYMOVGQZLJW-AMZAMLQSSA-N
XLogP22.21
TPSA380.68 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002285.40
LogP ≤ 522.21
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

[[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl]pyrazole-4-carbonyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid
CID 155526748
[[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]ethynyl]pyrazol-1-yl]butanoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid
CID 155569241
1-[2-[(1R,3S,5R)-3-[[2-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 71009339
US10807952, Cmp No. 85
CID 135221666
Cyclo[(R)-2-(4-(2-imino-3-amino-3-oxopropyl)-1H-1,2,3-triazol-1-yl)acetyl-Val-Trp-Phe-Gly-homoVal-(m-CF3)Phe-(1-Bz-4-NH)Pro]
CID 171378349
(1S,4S,13S,16S,19S,26S,29S,32S)-34-benzoyl-19-benzyl-16-(1H-indol-3-ylmethyl)-2,11,14,17,20,23,27,30-octaoxo-13,26-di(propan-2-yl)-29-[[3-(trifluoromethyl)phenyl]methyl]-3,7,8,9,12,15,18,21,24,28,31,34-dodecazatricyclo[30.2.1.16,9]hexatriaconta-6(36),7-diene-4-carboxamide
CID 172441938
(1S,13S,16S,19S,26S,29S,32S)-34-benzoyl-19-benzyl-16-(1H-indol-3-ylmethyl)-2,11,14,17,20,23,27,30-octaoxo-13,26-di(propan-2-yl)-29-[[3-(trifluoromethyl)phenyl]methyl]-3,7,8,9,12,15,18,21,24,28,31,34-dodecazatricyclo[30.2.1.16,9]hexatriaconta-6(36),7-diene-4-carboxamide
CID 172459844
(11R)-12-[4-(difluoromethyl)-5-fluoro-1H-indole-2-carbonyl]-11-methyl-4-(2-pyridylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155366449
(11R)-12-[5-fluoro-4-(trifluoromethyl)-1H-indole-2-carbonyl]-11-methyl-4-(2-pyridylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155366450
(11R)-12-(4,5-difluoro-1H-indole-2-carbonyl)-11-methyl-4-(2-pyridylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155366680
(11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(2-pyridylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155366681
(11R)-11-methyl-4-(2-pyridylmethyl)-12-(4,5,6-trifluoro-1H-indole-2-carbonyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155366682

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 158541744) is N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(=O)NC3CC3)cc2C(C)C)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cccc(C)c23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is HOPIYMOVGQZLJW-AMZAMLQSSA-N. The full InChI is InChI=1S/C33H33F3N6O3.C32H28F2N4O2.C31H26F2N4O2.C30H27F6N5O2/c1-18(2)29-16-28(33(45)39-23-7-8-23)41-42(29)17-30(43)40-27(13-19-11-21(34)15-22(35)12-19)31-24(5-4-10-38-31)20-6-9-26(36)25(14-20)32(44)37-3;1-19-6-3-10-27-30(19)23(18-37-27)16-29(39)38-28(14-20-12-24(33)17-25(34)13-20)31-26(9-5-11-36-31)21-7-4-8-22(15-21)32(40)35-2;1-34-31(39)21-7-4-6-20(15-21)26-9-5-11-35-30(26)28(14-19-12-23(32)17-24(33)13-19)37-29(38)16-22-18-36-27-10-3-2-8-25(22)27;1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3/h4-6,9-12,14-16,18,23,27H,7-8,13,17H2,1-3H3,(H,37,44)(H,39,45)(H,40,43);3-13,15,17-18,28,37H,14,16H2,1-2H3,(H,35,40)(H,38,39);2-13,15,17-18,28,36H,14,16H2,1H3,(H,34,39)(H,37,38);4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43)/t27-;2*28-;24-,27?/m0000/s1.
What are the key properties of N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2285.40 g/mol, XLogP of 22.21, 36 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 158541744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).