4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen

C89H90F4N14O15 — CID 159038519

IUPAC4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen
SMILESCC(C)(C)OC(=O)c1ccc(-c2cc(C3=CC(=O)N(C(=O)OC(C)(C)C)C3)cnc2N)cc1F.N[C@H](CO)c1ccccc1.Nc1ncc(C2=CC(=O)NC2)cc1-c1ccc(C(=O)O)c(F)c1.Nc1ncc(C2CNC(=O)C2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.Nc1ncc(C2CNC(=O)C2)cc1-c1ccc(C(=O)O)c(F)c1.[H][H]
InChIInChI=1S/C25H28FN3O5.C24H23FN4O3.C16H14FN3O3.C16H12FN3O3.C8H11NO.H2/c1-24(2,3)33-22(31)17-8-7-14(10-19(17)26)18-9-15(12-28-21(18)27)16-11-20(30)29(13-16)23(32)34-25(4,5)6;25-20-9-15(19-8-16(12-28-23(19)26)17-10-22(31)27-11-17)6-7-18(20)24(32)29-21(13-30)14-4-2-1-3-5-14;2*17-13-4-8(1-2-11(13)16(22)23)12-3-9(7-20-15(12)18)10-5-14(21)19-6-10;9-8(6-10)7-4-2-1-3-5-7;/h7-12H,13H2,1-6H3,(H2,27,28);1-9,12,17,21,30H,10-11,13H2,(H2,26,28)(H,27,31)(H,29,32);1-4,7,10H,5-6H2,(H2,18,20)(H,19,21)(H,22,23);1-5,7H,6H2,(H2,18,20)(H,19,21)(H,22,23);1-5,8,10H,6,9H2;1H/t;17?,21-;;;8-;/m.1..1./s1
InChIKeyJVTFQLCYXZTATR-MUVHYEDHSA-N
MW1671.77 g/mol
LogP11.50
Rot. Bonds17

About 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen

4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen (PubChem CID 159038519) has the molecular formula C89H90F4N14O15 and a molecular weight of 1671.77 g/mol. Its IUPAC name is 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Name4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen
PubChem CID159038519
Molecular FormulaC89H90F4N14O15
Molecular Weight1671.77 g/mol
Exact Mass1670.66
IUPAC Name4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen
SMILESCC(C)(C)OC(=O)c1ccc(-c2cc(C3=CC(=O)N(C(=O)OC(C)(C)C)C3)cnc2N)cc1F.N[C@H](CO)c1ccccc1.Nc1ncc(C2=CC(=O)NC2)cc1-c1ccc(C(=O)O)c(F)c1.Nc1ncc(C2CNC(=O)C2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.Nc1ncc(C2CNC(=O)C2)cc1-c1ccc(C(=O)O)c(F)c1.[H][H]
InChIInChI=1S/C25H28FN3O5.C24H23FN4O3.C16H14FN3O3.C16H12FN3O3.C8H11NO.H2/c1-24(2,3)33-22(31)17-8-7-14(10-19(17)26)18-9-15(12-28-21(18)27)16-11-20(30)29(13-16)23(32)34-25(4,5)6;25-20-9-15(19-8-16(12-28-23(19)26)17-10-22(31)27-11-17)6-7-18(20)24(32)29-21(13-30)14-4-2-1-3-5-14;2*17-13-4-8(1-2-11(13)16(22)23)12-3-9(7-20-15(12)18)10-5-14(21)19-6-10;9-8(6-10)7-4-2-1-3-5-7;/h7-12H,13H2,1-6H3,(H2,27,28);1-9,12,17,21,30H,10-11,13H2,(H2,26,28)(H,27,31)(H,29,32);1-4,7,10H,5-6H2,(H2,18,20)(H,19,21)(H,22,23);1-5,7H,6H2,(H2,18,20)(H,19,21)(H,22,23);1-5,8,10H,6,9H2;1H/t;17?,21-;;;8-;/m.1..1./s1
InChIKeyJVTFQLCYXZTATR-MUVHYEDHSA-N
XLogP11.50
TPSA486.03 Ų
H-Bond Donors13
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001671.77
LogP ≤ 511.50
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1022

Analyze 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S,5R)-2-[[4-[(2-fluoro-3-pyridinyl)methyl-(2-hydroxyethyl)carbamoyl]phenyl]methyl]-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidine-1-carboxylate;2-[(2-fluoro-3-pyridinyl)methylamino]ethanol;bis(N-[(2-fluoro-3-pyridinyl)methyl]-N-(2-hydroxyethyl)-4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen
CID 157220086
tert-butyl 4-[4-[(4R)-4-(benzoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluorobenzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-fluoro-4-[(4R)-4-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate;1-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine;[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-(4-iodophenyl)methanone;(4R)-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]-4-(methoxymethyl)-1,3-oxazolidin-2-one
CID 157454899
4-[2-amino-5-[(3R)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 158142348
4-[3-amino-6-[(1R,3R)-3-hydroxycyclopentyl]pyrazin-2-yl]-2-fluorobenzoic acid;4-[3-amino-6-[(1R,3R)-3-hydroxycyclopentyl]pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluoro-5-iodophenyl)-2-hydroxyethyl]benzamide;bis(tert-butyl 4-[3-amino-6-[(1R,3R)-3-hydroxycyclopentyl]pyrazin-2-yl]-2-fluorobenzoate)
CID 158369230
4-[3-amino-6-(1-methoxycarbonylpiperidin-3-yl)pyrazin-2-yl]-2-fluorobenzoic acid;methyl 3-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 3-[5-amino-6-(3-fluoro-4-methoxycarbonylphenyl)pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate
CID 158910503
tert-butyl (2S,5R)-2-[[4-[(2-fluoro-3-pyridinyl)methyl-methylcarbamoyl]phenyl]methyl]-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidine-1-carboxylate;bis(N-[(2-fluoro-3-pyridinyl)methyl]-4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methylbenzamide);1-(2-fluoro-3-pyridinyl)-N-methylmethanamine;4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydrochloride
CID 159146814
4-[2-amino-5-[(3R,5S)-5-methoxycarbonylpyrrolidin-3-yl]-3-pyridinyl]-2-fluorobenzoic acid;tert-butyl 4-[2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-2-fluorobenzoate;1-O-tert-butyl 2-O-methyl (2S)-4-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-2,5-dihydropyrrole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-methyl-2,5-dihydropyrrole-1,2-dicarboxylate
CID 159296913
CID 159737315
CID 159737315
4-[2-amino-5-[(3R,5S)-5-methoxycarbonylpyrrolidin-3-yl]-3-pyridinyl]-2-fluorobenzoic acid;tert-butyl 4-[2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-2-fluorobenzoate;1-O-tert-butyl 2-O-methyl (2S)-4-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-2,5-dihydropyrrole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-methylpyrrolidine-1,2-dicarboxylate
CID 160302699
tert-butyl (2S,5R)-2-[[4-[(2-fluoro-3-pyridinyl)methyl-(2-hydroxyethyl)carbamoyl]phenyl]methyl]-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidine-1-carboxylate;2-[(2-fluoro-3-pyridinyl)methylamino]ethanol;N-[(2-fluoro-3-pyridinyl)methyl]-N-(2-hydroxyethyl)-4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]benzamide;4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen
CID 160384292
4-[2-amino-5-[(3R)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[2-amino-5-[(3S)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;methyl (2S,4R)-4-[6-amino-5-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]-3-pyridinyl]pyrrolidine-2-carboxylate
CID 160420930
4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate
CID 160972498

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen?
The IUPAC name of 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen (CID 159038519) is 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen.
What is the SMILES notation for 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen?
The canonical SMILES for 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen is CC(C)(C)OC(=O)c1ccc(-c2cc(C3=CC(=O)N(C(=O)OC(C)(C)C)C3)cnc2N)cc1F.N[C@H](CO)c1ccccc1.Nc1ncc(C2=CC(=O)NC2)cc1-c1ccc(C(=O)O)c(F)c1.Nc1ncc(C2CNC(=O)C2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.Nc1ncc(C2CNC(=O)C2)cc1-c1ccc(C(=O)O)c(F)c1.[H][H].
What is the InChIKey of 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen?
The InChIKey is JVTFQLCYXZTATR-MUVHYEDHSA-N. The full InChI is InChI=1S/C25H28FN3O5.C24H23FN4O3.C16H14FN3O3.C16H12FN3O3.C8H11NO.H2/c1-24(2,3)33-22(31)17-8-7-14(10-19(17)26)18-9-15(12-28-21(18)27)16-11-20(30)29(13-16)23(32)34-25(4,5)6;25-20-9-15(19-8-16(12-28-23(19)26)17-10-22(31)27-11-17)6-7-18(20)24(32)29-21(13-30)14-4-2-1-3-5-14;2*17-13-4-8(1-2-11(13)16(22)23)12-3-9(7-20-15(12)18)10-5-14(21)19-6-10;9-8(6-10)7-4-2-1-3-5-7;/h7-12H,13H2,1-6H3,(H2,27,28);1-9,12,17,21,30H,10-11,13H2,(H2,26,28)(H,27,31)(H,29,32);1-4,7,10H,5-6H2,(H2,18,20)(H,19,21)(H,22,23);1-5,7H,6H2,(H2,18,20)(H,19,21)(H,22,23);1-5,8,10H,6,9H2;1H/t;17?,21-;;;8-;/m.1..1./s1.
What are the key properties of 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen?
4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen has a molecular weight of 1671.77 g/mol, XLogP of 11.50, 17 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(5-oxo-1,2-dihydropyrrol-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluorobenzoic acid;4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;tert-butyl 3-[6-amino-5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-pyridinyl]-5-oxo-2H-pyrrole-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 159038519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).