3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide

C149H147F4N25O18 — CID 158326269

IUPAC3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(F)cc(-c2cc(C)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cc(F)cc(-c2cc(OC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(C(F)F)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(C)c(N)c(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(N3CCCC3=O)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C)c(N)c(C(N)=O)n2)c1.COc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1C
InChIInChI=1S/C24H24N4O3.C21H19F2N3O2.C21H20FN3O3.C21H20FN3O2.C21H22N4O2.C21H21N3O4.C20H21N5O2/c1-16-24(31,10-12-27(16)2)9-8-17-5-3-6-18(13-17)20-14-19(15-21(26-20)23(25)30)28-11-4-7-22(28)29;1-13-21(28,8-9-26(13)2)7-6-14-4-3-5-15(10-14)17-11-16(19(22)23)12-18(25-17)20(24)27;1-13-21(27,6-7-25(13)2)5-4-14-8-15(10-16(22)9-14)18-11-17(28-3)12-19(24-18)20(23)26;1-13-8-18(24-19(9-13)20(23)26)16-10-15(11-17(22)12-16)4-5-21(27)6-7-25(3)14(21)2;1-13-11-17(24-19(18(13)22)20(23)26)16-6-4-5-15(12-16)7-8-21(27)9-10-25(3)14(21)2;1-13-17(28-3)12-16(23-18(13)19(22)25)15-6-4-5-14(11-15)7-8-21(27)9-10-24(2)20(21)26;1-12-16(21)17(18(22)26)24-19(23-12)15-6-4-5-14(11-15)7-8-20(27)9-10-25(3)13(20)2/h3,5-6,13-15,31H,1,4,7,10-12H2,2H3,(H2,25,30);3-5,10-12,19,28H,1,8-9H2,2H3,(H2,24,27);8-12,27H,1,6-7H2,2-3H3,(H2,23,26);8-12,27H,2,6-7H2,1,3H3,(H2,23,26);4-6,11-12,27H,2,9-10,22H2,1,3H3,(H2,23,26);4-6,11-12,27H,9-10H2,1-3H3,(H2,22,25);4-6,11,27H,2,9-10,21H2,1,3H3,(H2,22,26)/t24-;5*21-;20-/m0000000/s1
InChIKeyGPLFOZCIUVKXNT-FVJRTTGLSA-N
MW2651.96 g/mol
LogP12.62
Rot. Bonds18

About 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide

3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide (PubChem CID 158326269) has the molecular formula C149H147F4N25O18 and a molecular weight of 2651.96 g/mol. Its IUPAC name is 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide
PubChem CID158326269
Molecular FormulaC149H147F4N25O18
Molecular Weight2651.96 g/mol
Exact Mass2650.13
IUPAC Name3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(F)cc(-c2cc(C)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cc(F)cc(-c2cc(OC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(C(F)F)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(C)c(N)c(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(N3CCCC3=O)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C)c(N)c(C(N)=O)n2)c1.COc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1C
InChIInChI=1S/C24H24N4O3.C21H19F2N3O2.C21H20FN3O3.C21H20FN3O2.C21H22N4O2.C21H21N3O4.C20H21N5O2/c1-16-24(31,10-12-27(16)2)9-8-17-5-3-6-18(13-17)20-14-19(15-21(26-20)23(25)30)28-11-4-7-22(28)29;1-13-21(28,8-9-26(13)2)7-6-14-4-3-5-15(10-14)17-11-16(19(22)23)12-18(25-17)20(24)27;1-13-21(27,6-7-25(13)2)5-4-14-8-15(10-16(22)9-14)18-11-17(28-3)12-19(24-18)20(23)26;1-13-8-18(24-19(9-13)20(23)26)16-10-15(11-17(22)12-16)4-5-21(27)6-7-25(3)14(21)2;1-13-11-17(24-19(18(13)22)20(23)26)16-6-4-5-15(12-16)7-8-21(27)9-10-25(3)14(21)2;1-13-17(28-3)12-16(23-18(13)19(22)25)15-6-4-5-14(11-15)7-8-21(27)9-10-24(2)20(21)26;1-12-16(21)17(18(22)26)24-19(23-12)15-6-4-5-14(11-15)7-8-20(27)9-10-25(3)13(20)2/h3,5-6,13-15,31H,1,4,7,10-12H2,2H3,(H2,25,30);3-5,10-12,19,28H,1,8-9H2,2H3,(H2,24,27);8-12,27H,1,6-7H2,2-3H3,(H2,23,26);8-12,27H,2,6-7H2,1,3H3,(H2,23,26);4-6,11-12,27H,2,9-10,22H2,1,3H3,(H2,23,26);4-6,11-12,27H,9-10H2,1-3H3,(H2,22,25);4-6,11,27H,2,9-10,21H2,1,3H3,(H2,22,26)/t24-;5*21-;20-/m0000000/s1
InChIKeyGPLFOZCIUVKXNT-FVJRTTGLSA-N
XLogP12.62
TPSA676.92 Ų
H-Bond Donors16
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms196
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002651.96
LogP ≤ 512.62
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide (CID 158326269) is 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1cc(F)cc(-c2cc(C)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cc(F)cc(-c2cc(OC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(C(F)F)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(C)c(N)c(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(N3CCCC3=O)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C)c(N)c(C(N)=O)n2)c1.COc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1C.
What is the InChIKey of 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide?
The InChIKey is GPLFOZCIUVKXNT-FVJRTTGLSA-N. The full InChI is InChI=1S/C24H24N4O3.C21H19F2N3O2.C21H20FN3O3.C21H20FN3O2.C21H22N4O2.C21H21N3O4.C20H21N5O2/c1-16-24(31,10-12-27(16)2)9-8-17-5-3-6-18(13-17)20-14-19(15-21(26-20)23(25)30)28-11-4-7-22(28)29;1-13-21(28,8-9-26(13)2)7-6-14-4-3-5-15(10-14)17-11-16(19(22)23)12-18(25-17)20(24)27;1-13-21(27,6-7-25(13)2)5-4-14-8-15(10-16(22)9-14)18-11-17(28-3)12-19(24-18)20(23)26;1-13-8-18(24-19(9-13)20(23)26)16-10-15(11-17(22)12-16)4-5-21(27)6-7-25(3)14(21)2;1-13-11-17(24-19(18(13)22)20(23)26)16-6-4-5-15(12-16)7-8-21(27)9-10-25(3)14(21)2;1-13-17(28-3)12-16(23-18(13)19(22)25)15-6-4-5-14(11-15)7-8-21(27)9-10-24(2)20(21)26;1-12-16(21)17(18(22)26)24-19(23-12)15-6-4-5-14(11-15)7-8-20(27)9-10-25(3)13(20)2/h3,5-6,13-15,31H,1,4,7,10-12H2,2H3,(H2,25,30);3-5,10-12,19,28H,1,8-9H2,2H3,(H2,24,27);8-12,27H,1,6-7H2,2-3H3,(H2,23,26);8-12,27H,2,6-7H2,1,3H3,(H2,23,26);4-6,11-12,27H,2,9-10,22H2,1,3H3,(H2,23,26);4-6,11-12,27H,9-10H2,1-3H3,(H2,22,25);4-6,11,27H,2,9-10,21H2,1,3H3,(H2,22,26)/t24-;5*21-;20-/m0000000/s1.
What are the key properties of 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide?
3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide has a molecular weight of 2651.96 g/mol, XLogP of 12.62, 18 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrimidine-4-carboxamide;4-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxy-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 158326269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).