tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

C112H131F2N15O13Si2 — CID 159849330

IUPACtert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)cc(-c1cc(NC(=O)c3cnn(Cc4ccc(C)cc4)c3)cn(COCC[Si](C)(C)C)c1=O)n2C(=O)OC(C)(C)C.Cc1ccc(Cn2cc(C(=O)NC3=CCC(=O)C(C4=Cc5cc(CN6CCC(F)CC6)ccc5C4)=C3)cn2)cc1.Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(CN6CCC(F)CC6)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1
InChIInChI=1S/C42H53FN6O5Si.C37H45N5O6Si.C33H33FN4O2/c1-29-8-10-30(11-9-29)25-48-26-33(23-44-48)39(50)45-35-22-36(40(51)47(27-35)28-53-18-19-55(5,6)7)38-21-32-20-31(24-46-16-14-34(43)15-17-46)12-13-37(32)49(38)41(52)54-42(2,3)4;1-25-9-11-26(12-10-25)21-41-22-28(20-38-41)34(43)39-29-19-31(35(44)40(23-29)24-47-15-16-49(6,7)8)33-18-27-17-30(46-5)13-14-32(27)42(33)36(45)48-37(2,3)4;1-22-2-4-23(5-3-22)20-38-21-28(18-35-38)33(40)36-30-8-9-32(39)31(17-30)27-15-25-7-6-24(14-26(25)16-27)19-37-12-10-29(34)11-13-37/h8-13,20-23,26-27,34H,14-19,24-25,28H2,1-7H3,(H,45,50);9-14,17-20,22-23H,15-16,21,24H2,1-8H3,(H,39,43);2-8,14,16-18,21,29H,9-13,15,19-20H2,1H3,(H,36,40)
InChIKeyNPSLXYYZZANFQC-UHFFFAOYSA-N
MW1989.54 g/mol
LogP21.01
Rot. Bonds30

About tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 159849330) has the molecular formula C112H131F2N15O13Si2 and a molecular weight of 1989.54 g/mol. Its IUPAC name is tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Nametert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID159849330
Molecular FormulaC112H131F2N15O13Si2
Molecular Weight1989.54 g/mol
Exact Mass1987.96
IUPAC Nametert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)cc(-c1cc(NC(=O)c3cnn(Cc4ccc(C)cc4)c3)cn(COCC[Si](C)(C)C)c1=O)n2C(=O)OC(C)(C)C.Cc1ccc(Cn2cc(C(=O)NC3=CCC(=O)C(C4=Cc5cc(CN6CCC(F)CC6)ccc5C4)=C3)cn2)cc1.Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(CN6CCC(F)CC6)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1
InChIInChI=1S/C42H53FN6O5Si.C37H45N5O6Si.C33H33FN4O2/c1-29-8-10-30(11-9-29)25-48-26-33(23-44-48)39(50)45-35-22-36(40(51)47(27-35)28-53-18-19-55(5,6)7)38-21-32-20-31(24-46-16-14-34(43)15-17-46)12-13-37(32)49(38)41(52)54-42(2,3)4;1-25-9-11-26(12-10-25)21-41-22-28(20-38-41)34(43)39-29-19-31(35(44)40(23-29)24-47-15-16-49(6,7)8)33-18-27-17-30(46-5)13-14-32(27)42(33)36(45)48-37(2,3)4;1-22-2-4-23(5-3-22)20-38-21-28(18-35-38)33(40)36-30-8-9-32(39)31(17-30)27-15-25-7-6-24(14-26(25)16-27)19-37-12-10-29(34)11-13-37/h8-13,20-23,26-27,34H,14-19,24-25,28H2,1-7H3,(H,45,50);9-14,17-20,22-23H,15-16,21,24H2,1-8H3,(H,39,43);2-8,14,16-18,21,29H,9-13,15,19-20H2,1H3,(H,36,40)
InChIKeyNPSLXYYZZANFQC-UHFFFAOYSA-N
XLogP21.01
TPSA298.46 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001989.54
LogP ≤ 521.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

Tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate
CID 155642115
2-[5-{[1-(4-Methyl-benzyl)-1H-pyrazole-4-carbonyl]-amino}-2-oxo-1-(2-trimethylsilanyl-ethoxymethyl)-1,2-dihydro-pyridin-3-yl]-5-(2-piperidin-1-yl-ethoxy)-indole-1-carboxylic acid tert-butyl ester
CID 58117336
Tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate
CID 58117397
2-[5-[[1-[(4-Methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylic acid
CID 90004538
tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 5-ethylindole-1-carboxylate;tert-butyl 5-ethyl-2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-[5-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;1H-indene-5-carboxylic acid;1H-inden-5-ylmethanol
CID 157668181
tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide
CID 158068333
tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methylindole-1-carboxylate;tert-butyl 5-methylindole-1-carboxylate;tert-butyl 5-methyl-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methyl-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-inden-5-ol
CID 158077905
6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158717882
Tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate
CID 158854069
6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 160080436
tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methylindole-1-carboxylate;tert-butyl 5-methylindole-1-carboxylate;tert-butyl 5-methyl-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methyl-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indol-5-ol
CID 160097260
7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-10-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one;7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide
CID 160864932

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 159849330) is tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is COc1ccc2c(c1)cc(-c1cc(NC(=O)c3cnn(Cc4ccc(C)cc4)c3)cn(COCC[Si](C)(C)C)c1=O)n2C(=O)OC(C)(C)C.Cc1ccc(Cn2cc(C(=O)NC3=CCC(=O)C(C4=Cc5cc(CN6CCC(F)CC6)ccc5C4)=C3)cn2)cc1.Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(CN6CCC(F)CC6)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1.
What is the InChIKey of tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is NPSLXYYZZANFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H53FN6O5Si.C37H45N5O6Si.C33H33FN4O2/c1-29-8-10-30(11-9-29)25-48-26-33(23-44-48)39(50)45-35-22-36(40(51)47(27-35)28-53-18-19-55(5,6)7)38-21-32-20-31(24-46-16-14-34(43)15-17-46)12-13-37(32)49(38)41(52)54-42(2,3)4;1-25-9-11-26(12-10-25)21-41-22-28(20-38-41)34(43)39-29-19-31(35(44)40(23-29)24-47-15-16-49(6,7)8)33-18-27-17-30(46-5)13-14-32(27)42(33)36(45)48-37(2,3)4;1-22-2-4-23(5-3-22)20-38-21-28(18-35-38)33(40)36-30-8-9-32(39)31(17-30)27-15-25-7-6-24(14-26(25)16-27)19-37-12-10-29(34)11-13-37/h8-13,20-23,26-27,34H,14-19,24-25,28H2,1-7H3,(H,45,50);9-14,17-20,22-23H,15-16,21,24H2,1-8H3,(H,39,43);2-8,14,16-18,21,29H,9-13,15,19-20H2,1H3,(H,36,40).
What are the key properties of tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 1989.54 g/mol, XLogP of 21.01, 30 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(4-fluoropiperidin-1-yl)methyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;N-[5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-dien-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 159849330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).