3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide

C159H156F10N22O25 — CID 159435179

IUPAC3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c(CCC(F)(F)F)cc2F)c1.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3ccc(CC4COC4)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3ccc(N)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c(CC[C@@H]4CCO4)cc3F)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c(CC[C@H]4CCO4)cc3F)c2)C1=O.COCCCc1cc(F)c(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc1C(N)=O.COCCCc1ccc(-c2cc(C#C[C@]3(O)CCN(C)C3=O)ccc2F)nc1C(N)=O
InChIInChI=1S/2C24H24FN3O4.C23H21F4N3O2.C23H22FN3O4.2C23H24FN3O4.C19H17FN4O3/c2*1-28-11-10-24(31,23(28)30)9-7-15-3-2-4-16(13-15)20-19(25)14-17(21(27-20)22(26)29)5-6-18-8-12-32-18;1-14-22(32,10-11-30(14)2)8-6-15-4-3-5-16(12-15)19-18(24)13-17(7-9-23(25,26)27)20(29-19)21(28)31;1-27-9-8-23(30,22(27)29)7-6-14-2-4-18(24)17(11-14)19-5-3-16(10-15-12-31-13-15)20(26-19)21(25)28;1-27-11-10-23(30,22(27)29)9-8-15-5-3-6-16(13-15)19-18(24)14-17(7-4-12-31-2)20(26-19)21(25)28;1-27-12-11-23(30,22(27)29)10-9-15-5-7-18(24)17(14-15)19-8-6-16(4-3-13-31-2)20(26-19)21(25)28;1-24-9-8-19(27,18(24)26)7-6-11-2-3-13(20)12(10-11)15-5-4-14(21)16(23-15)17(22)25/h2*2-4,13-14,18,31H,5-6,8,10-12H2,1H3,(H2,26,29);3-5,12-13,32H,1,7,9-11H2,2H3,(H2,28,31);2-5,11,15,30H,8-10,12-13H2,1H3,(H2,25,28);3,5-6,13-14,30H,4,7,10-12H2,1-2H3,(H2,25,28);5-8,14,30H,3-4,11-13H2,1-2H3,(H2,25,28);2-5,10,27H,8-9,21H2,1H3,(H2,22,25)/t18-,24+;18-,24-;22-;3*23-;19-/m1000000/s1
InChIKeyLRMJUYWJJOUTOX-NLAIMLKDSA-N
MW2965.11 g/mol
LogP11.37
Rot. Bonds32

About 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide

3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 159435179) has the molecular formula C159H156F10N22O25 and a molecular weight of 2965.11 g/mol. Its IUPAC name is 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide
PubChem CID159435179
Molecular FormulaC159H156F10N22O25
Molecular Weight2965.11 g/mol
Exact Mass2963.15
IUPAC Name3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c(CCC(F)(F)F)cc2F)c1.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3ccc(CC4COC4)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3ccc(N)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c(CC[C@@H]4CCO4)cc3F)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c(CC[C@H]4CCO4)cc3F)c2)C1=O.COCCCc1cc(F)c(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc1C(N)=O.COCCCc1ccc(-c2cc(C#C[C@]3(O)CCN(C)C3=O)ccc2F)nc1C(N)=O
InChIInChI=1S/2C24H24FN3O4.C23H21F4N3O2.C23H22FN3O4.2C23H24FN3O4.C19H17FN4O3/c2*1-28-11-10-24(31,23(28)30)9-7-15-3-2-4-16(13-15)20-19(25)14-17(21(27-20)22(26)29)5-6-18-8-12-32-18;1-14-22(32,10-11-30(14)2)8-6-15-4-3-5-16(12-15)19-18(24)13-17(7-9-23(25,26)27)20(29-19)21(28)31;1-27-9-8-23(30,22(27)29)7-6-14-2-4-18(24)17(11-14)19-5-3-16(10-15-12-31-13-15)20(26-19)21(25)28;1-27-11-10-23(30,22(27)29)9-8-15-5-3-6-16(13-15)19-18(24)14-17(7-4-12-31-2)20(26-19)21(25)28;1-27-12-11-23(30,22(27)29)10-9-15-5-7-18(24)17(14-15)19-8-6-16(4-3-13-31-2)20(26-19)21(25)28;1-24-9-8-19(27,18(24)26)7-6-11-2-3-13(20)12(10-11)15-5-4-14(21)16(23-15)17(22)25/h2*2-4,13-14,18,31H,5-6,8,10-12H2,1H3,(H2,26,29);3-5,12-13,32H,1,7,9-11H2,2H3,(H2,28,31);2-5,11,15,30H,8-10,12-13H2,1H3,(H2,25,28);3,5-6,13-14,30H,4,7,10-12H2,1-2H3,(H2,25,28);5-8,14,30H,3-4,11-13H2,1-2H3,(H2,25,28);2-5,10,27H,8-9,21H2,1H3,(H2,22,25)/t18-,24+;18-,24-;22-;3*23-;19-/m1000000/s1
InChIKeyLRMJUYWJJOUTOX-NLAIMLKDSA-N
XLogP11.37
TPSA730.74 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds32
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002965.11
LogP ≤ 511.37
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide
CID 157814002
3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(cyclopropylmethyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
CID 161103300

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide (CID 159435179) is 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c(CCC(F)(F)F)cc2F)c1.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3ccc(CC4COC4)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3ccc(N)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c(CC[C@@H]4CCO4)cc3F)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c(CC[C@H]4CCO4)cc3F)c2)C1=O.COCCCc1cc(F)c(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc1C(N)=O.COCCCc1ccc(-c2cc(C#C[C@]3(O)CCN(C)C3=O)ccc2F)nc1C(N)=O.
What is the InChIKey of 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is LRMJUYWJJOUTOX-NLAIMLKDSA-N. The full InChI is InChI=1S/2C24H24FN3O4.C23H21F4N3O2.C23H22FN3O4.2C23H24FN3O4.C19H17FN4O3/c2*1-28-11-10-24(31,23(28)30)9-7-15-3-2-4-16(13-15)20-19(25)14-17(21(27-20)22(26)29)5-6-18-8-12-32-18;1-14-22(32,10-11-30(14)2)8-6-15-4-3-5-16(12-15)19-18(24)13-17(7-9-23(25,26)27)20(29-19)21(28)31;1-27-9-8-23(30,22(27)29)7-6-14-2-4-18(24)17(11-14)19-5-3-16(10-15-12-31-13-15)20(26-19)21(25)28;1-27-11-10-23(30,22(27)29)9-8-15-5-3-6-16(13-15)19-18(24)14-17(7-4-12-31-2)20(26-19)21(25)28;1-27-12-11-23(30,22(27)29)10-9-15-5-7-18(24)17(14-15)19-8-6-16(4-3-13-31-2)20(26-19)21(25)28;1-24-9-8-19(27,18(24)26)7-6-11-2-3-13(20)12(10-11)15-5-4-14(21)16(23-15)17(22)25/h2*2-4,13-14,18,31H,5-6,8,10-12H2,1H3,(H2,26,29);3-5,12-13,32H,1,7,9-11H2,2H3,(H2,28,31);2-5,11,15,30H,8-10,12-13H2,1H3,(H2,25,28);3,5-6,13-14,30H,4,7,10-12H2,1-2H3,(H2,25,28);5-8,14,30H,3-4,11-13H2,1-2H3,(H2,25,28);2-5,10,27H,8-9,21H2,1H3,(H2,22,25)/t18-,24+;18-,24-;22-;3*23-;19-/m1000000/s1.
What are the key properties of 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide?
3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 2965.11 g/mol, XLogP of 11.37, 32 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(3,3,3-trifluoropropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(3-methoxypropyl)pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2R)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[2-[(2S)-oxetan-2-yl]ethyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 159435179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).