3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide

C132H130F7N25O17 — CID 160551875

IUPAC3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2ccc(C[C@@H](C)COC)c(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2ccc(C[C@H](C)COC)c(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(-c3ccc(N)c(C(N)=O)n3)ccc2F)C1=O.CN1CC[C@](O)(C#Cc2cccc(-c3nc(C(N)=O)ncc3NCC(F)(F)F)c2)C1=O.Cc1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c1F.Cc1nnc(C(C)(C)C#Cc2cccc(-c3nc(C(N)=O)cc(-n4nccc4C)n3)c2)o1
InChIInChI=1S/2C25H28FN3O3.C23H21N7O2.C20H18F3N5O3.C20H18FN3O3.C19H17FN4O3/c2*1-16(15-32-4)13-19-6-8-22(28-23(19)24(27)30)20-14-18(5-7-21(20)26)9-10-25(31)11-12-29(3)17(25)2;1-14-9-11-25-30(14)19-13-18(20(24)31)26-21(27-19)17-7-5-6-16(12-17)8-10-23(3,4)22-29-28-15(2)32-22;1-28-8-7-19(31,18(28)30)6-5-12-3-2-4-13(9-12)15-14(26-11-20(21,22)23)10-25-17(27-15)16(24)29;1-12-10-15(18(22)25)23-17(16(12)21)14-5-3-4-13(11-14)6-7-20(27)8-9-24(2)19(20)26;1-24-9-8-19(27,18(24)26)7-6-11-10-12(2-3-13(11)20)15-5-4-14(21)16(23-15)17(22)25/h2*5-8,14,16,31H,2,11-13,15H2,1,3-4H3,(H2,27,30);5-7,9,11-13H,1-4H3,(H2,24,31);2-4,9-10,26,31H,7-8,11H2,1H3,(H2,24,29);3-5,10-11,27H,8-9H2,1-2H3,(H2,22,25);2-5,10,27H,8-9,21H2,1H3,(H2,22,25)/t16-,25+;16-,25-;;19-;20-;19-/m10.100/s1
InChIKeyQYEJLORAXNFGIJ-BRRFWSIJSA-N
MW2471.64 g/mol
LogP11.16
Rot. Bonds24

About 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide

3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide (PubChem CID 160551875) has the molecular formula C132H130F7N25O17 and a molecular weight of 2471.64 g/mol. Its IUPAC name is 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide
PubChem CID160551875
Molecular FormulaC132H130F7N25O17
Molecular Weight2471.64 g/mol
Exact Mass2470.00
IUPAC Name3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2ccc(C[C@@H](C)COC)c(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2ccc(C[C@H](C)COC)c(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(-c3ccc(N)c(C(N)=O)n3)ccc2F)C1=O.CN1CC[C@](O)(C#Cc2cccc(-c3nc(C(N)=O)ncc3NCC(F)(F)F)c2)C1=O.Cc1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c1F.Cc1nnc(C(C)(C)C#Cc2cccc(-c3nc(C(N)=O)cc(-n4nccc4C)n3)c2)o1
InChIInChI=1S/2C25H28FN3O3.C23H21N7O2.C20H18F3N5O3.C20H18FN3O3.C19H17FN4O3/c2*1-16(15-32-4)13-19-6-8-22(28-23(19)24(27)30)20-14-18(5-7-21(20)26)9-10-25(31)11-12-29(3)17(25)2;1-14-9-11-25-30(14)19-13-18(20(24)31)26-21(27-19)17-7-5-6-16(12-17)8-10-23(3,4)22-29-28-15(2)32-22;1-28-8-7-19(31,18(28)30)6-5-12-3-2-4-13(9-12)15-14(26-11-20(21,22)23)10-25-17(27-15)16(24)29;1-12-10-15(18(22)25)23-17(16(12)21)14-5-3-4-13(11-14)6-7-20(27)8-9-24(2)19(20)26;1-24-9-8-19(27,18(24)26)7-6-11-10-12(2-3-13(11)20)15-5-4-14(21)16(23-15)17(22)25/h2*5-8,14,16,31H,2,11-13,15H2,1,3-4H3,(H2,27,30);5-7,9,11-13H,1-4H3,(H2,24,31);2-4,9-10,26,31H,7-8,11H2,1H3,(H2,24,29);3-5,10-11,27H,8-9H2,1-2H3,(H2,22,25);2-5,10,27H,8-9,21H2,1H3,(H2,22,25)/t16-,25+;16-,25-;;19-;20-;19-/m10.100/s1
InChIKeyQYEJLORAXNFGIJ-BRRFWSIJSA-N
XLogP11.16
TPSA643.47 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002471.64
LogP ≤ 511.16
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide (CID 160551875) is 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2ccc(C[C@@H](C)COC)c(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2ccc(C[C@H](C)COC)c(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(-c3ccc(N)c(C(N)=O)n3)ccc2F)C1=O.CN1CC[C@](O)(C#Cc2cccc(-c3nc(C(N)=O)ncc3NCC(F)(F)F)c2)C1=O.Cc1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c1F.Cc1nnc(C(C)(C)C#Cc2cccc(-c3nc(C(N)=O)cc(-n4nccc4C)n3)c2)o1.
What is the InChIKey of 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is QYEJLORAXNFGIJ-BRRFWSIJSA-N. The full InChI is InChI=1S/2C25H28FN3O3.C23H21N7O2.C20H18F3N5O3.C20H18FN3O3.C19H17FN4O3/c2*1-16(15-32-4)13-19-6-8-22(28-23(19)24(27)30)20-14-18(5-7-21(20)26)9-10-25(31)11-12-29(3)17(25)2;1-14-9-11-25-30(14)19-13-18(20(24)31)26-21(27-19)17-7-5-6-16(12-17)8-10-23(3,4)22-29-28-15(2)32-22;1-28-8-7-19(31,18(28)30)6-5-12-3-2-4-13(9-12)15-14(26-11-20(21,22)23)10-25-17(27-15)16(24)29;1-12-10-15(18(22)25)23-17(16(12)21)14-5-3-4-13(11-14)6-7-20(27)8-9-24(2)19(20)26;1-24-9-8-19(27,18(24)26)7-6-11-10-12(2-3-13(11)20)15-5-4-14(21)16(23-15)17(22)25/h2*5-8,14,16,31H,2,11-13,15H2,1,3-4H3,(H2,27,30);5-7,9,11-13H,1-4H3,(H2,24,31);2-4,9-10,26,31H,7-8,11H2,1H3,(H2,24,29);3-5,10-11,27H,8-9H2,1-2H3,(H2,22,25);2-5,10,27H,8-9,21H2,1H3,(H2,22,25)/t16-,25+;16-,25-;;19-;20-;19-/m10.100/s1.
What are the key properties of 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide?
3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 2471.64 g/mol, XLogP of 11.16, 24 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 160551875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).