4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide

C150H144F3N25O21 — CID 158241628

IUPAC4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(OC)cc(C(N)=O)n2)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2cc(OC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(=O)c(C)c(C(N)=O)[nH]2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(=O)cc(C(N)=O)[nH]2)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(-c2cc(NC(C)=O)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(-c3nc(C(N)=O)cc4c3cnn4C)ccc2F)C1=O
InChIInChI=1S/C24H24N4O3.C22H22N4O3.C21H18FN5O3.2C21H20FN3O3.C21H21N3O3.C20H19N3O3/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;1-14-22(29,9-10-26(14)3)8-7-16-5-4-6-17(11-16)19-12-18(24-15(2)27)13-20(25-19)21(23)28;1-26-8-7-21(30,20(26)29)6-5-12-9-13(3-4-15(12)22)18-14-11-24-27(2)17(14)10-16(25-18)19(23)28;1-13-21(27,8-9-25(13)2)7-6-14-10-15(4-5-17(14)22)18-11-16(28-3)12-19(24-18)20(23)26;1-13-21(27,8-9-25(13)2)7-6-14-4-5-17(22)16(10-14)18-11-15(28-3)12-19(24-18)20(23)26;1-13-18(25)12-17(23-19(13)20(22)26)16-6-4-5-15(11-16)7-8-21(27)9-10-24(3)14(21)2;1-13-20(26,8-9-23(13)2)7-6-14-4-3-5-15(10-14)17-11-16(24)12-18(22-17)19(21)25/h3,5-6,13-15,31H,1,4,7,10-12H2,2H3,(H2,25,30);4-6,11-13,29H,1,9-10H2,2-3H3,(H2,23,28)(H,24,25,27);3-4,9-11,30H,7-8H2,1-2H3,(H2,23,28);2*4-5,10-12,27H,1,8-9H2,2-3H3,(H2,23,26);4-6,11-12,27H,2,9-10H2,1,3H3,(H2,22,26)(H,23,25);3-5,10-12,26H,1,8-9H2,2H3,(H2,21,25)(H,22,24)/t24-;22-;4*21-;20-/m0000000/s1
InChIKeyGFPLGMNQKLHTSN-WYWVTOCNSA-N
MW2689.95 g/mol
LogP10.77
Rot. Bonds18

About 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide

4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide (PubChem CID 158241628) has the molecular formula C150H144F3N25O21 and a molecular weight of 2689.95 g/mol. Its IUPAC name is 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide
PubChem CID158241628
Molecular FormulaC150H144F3N25O21
Molecular Weight2689.95 g/mol
Exact Mass2688.09
IUPAC Name4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(OC)cc(C(N)=O)n2)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2cc(OC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(=O)c(C)c(C(N)=O)[nH]2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(=O)cc(C(N)=O)[nH]2)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(-c2cc(NC(C)=O)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(-c3nc(C(N)=O)cc4c3cnn4C)ccc2F)C1=O
InChIInChI=1S/C24H24N4O3.C22H22N4O3.C21H18FN5O3.2C21H20FN3O3.C21H21N3O3.C20H19N3O3/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;1-14-22(29,9-10-26(14)3)8-7-16-5-4-6-17(11-16)19-12-18(24-15(2)27)13-20(25-19)21(23)28;1-26-8-7-21(30,20(26)29)6-5-12-9-13(3-4-15(12)22)18-14-11-24-27(2)17(14)10-16(25-18)19(23)28;1-13-21(27,8-9-25(13)2)7-6-14-10-15(4-5-17(14)22)18-11-16(28-3)12-19(24-18)20(23)26;1-13-21(27,8-9-25(13)2)7-6-14-4-5-17(22)16(10-14)18-11-15(28-3)12-19(24-18)20(23)26;1-13-18(25)12-17(23-19(13)20(22)26)16-6-4-5-15(11-16)7-8-21(27)9-10-24(3)14(21)2;1-13-20(26,8-9-23(13)2)7-6-14-4-3-5-15(10-14)17-11-16(24)12-18(22-17)19(21)25/h3,5-6,13-15,31H,1,4,7,10-12H2,2H3,(H2,25,30);4-6,11-13,29H,1,9-10H2,2-3H3,(H2,23,28)(H,24,25,27);3-4,9-11,30H,7-8H2,1-2H3,(H2,23,28);2*4-5,10-12,27H,1,8-9H2,2-3H3,(H2,23,26);4-6,11-12,27H,2,9-10H2,1,3H3,(H2,22,26)(H,23,25);3-5,10-12,26H,1,8-9H2,2H3,(H2,21,25)(H,22,24)/t24-;22-;4*21-;20-/m0000000/s1
InChIKeyGFPLGMNQKLHTSN-WYWVTOCNSA-N
XLogP10.77
TPSA698.85 Ų
H-Bond Donors17
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002689.95
LogP ≤ 510.77
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide (CID 158241628) is 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(OC)cc(C(N)=O)n2)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2cc(OC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(=O)c(C)c(C(N)=O)[nH]2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(=O)cc(C(N)=O)[nH]2)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(-c2cc(NC(C)=O)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(-c3nc(C(N)=O)cc4c3cnn4C)ccc2F)C1=O.
What is the InChIKey of 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?
The InChIKey is GFPLGMNQKLHTSN-WYWVTOCNSA-N. The full InChI is InChI=1S/C24H24N4O3.C22H22N4O3.C21H18FN5O3.2C21H20FN3O3.C21H21N3O3.C20H19N3O3/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;1-14-22(29,9-10-26(14)3)8-7-16-5-4-6-17(11-16)19-12-18(24-15(2)27)13-20(25-19)21(23)28;1-26-8-7-21(30,20(26)29)6-5-12-9-13(3-4-15(12)22)18-14-11-24-27(2)17(14)10-16(25-18)19(23)28;1-13-21(27,8-9-25(13)2)7-6-14-10-15(4-5-17(14)22)18-11-16(28-3)12-19(24-18)20(23)26;1-13-21(27,8-9-25(13)2)7-6-14-4-5-17(22)16(10-14)18-11-15(28-3)12-19(24-18)20(23)26;1-13-18(25)12-17(23-19(13)20(22)26)16-6-4-5-15(11-16)7-8-21(27)9-10-24(3)14(21)2;1-13-20(26,8-9-23(13)2)7-6-14-4-3-5-15(10-14)17-11-16(24)12-18(22-17)19(21)25/h3,5-6,13-15,31H,1,4,7,10-12H2,2H3,(H2,25,30);4-6,11-13,29H,1,9-10H2,2-3H3,(H2,23,28)(H,24,25,27);3-4,9-11,30H,7-8H2,1-2H3,(H2,23,28);2*4-5,10-12,27H,1,8-9H2,2-3H3,(H2,23,26);4-6,11-12,27H,2,9-10H2,1,3H3,(H2,22,26)(H,23,25);3-5,10-12,26H,1,8-9H2,2H3,(H2,21,25)(H,22,24)/t24-;22-;4*21-;20-/m0000000/s1.
What are the key properties of 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?
4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide has a molecular weight of 2689.95 g/mol, XLogP of 10.77, 18 rotatable bonds, 17 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 158241628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).