6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide

C147H141F4N31O23 — CID 157085469

IUPAC6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(C(F)(F)F)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCc5ccccc54)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)ccc3F)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(N)cc(C(N)=O)n3)c2)C1=O.COCC1CCCN1c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CON(C)c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1
InChIInChI=1S/C26H23N5O3.C24H27N5O4.C21H22N4O3.C20H21N5O4.C19H15F3N4O3.C19H16FN3O3.C18H17N5O3/c1-30-14-12-26(34,25(30)33)11-9-17-5-4-7-19(15-17)24-28-20(23(27)32)16-22(29-24)31-13-10-18-6-2-3-8-21(18)31;1-28-12-10-24(32,23(28)31)9-8-16-5-3-6-17(13-16)22-26-19(21(25)30)14-20(27-22)29-11-4-7-18(29)15-33-2;1-13(2)16-12-17(18(22)26)24-19(23-16)15-6-4-5-14(11-15)7-8-21(28)9-10-25(3)20(21)27;1-24-10-9-20(28,19(24)27)8-7-13-5-4-6-14(11-13)18-22-15(17(21)26)12-16(23-18)25(2)29-3;1-26-8-7-18(29,17(26)28)6-5-11-3-2-4-12(9-11)16-24-13(15(23)27)10-14(25-16)19(20,21)22;1-23-10-9-19(26,18(23)25)8-7-12-3-2-4-13(11-12)16-14(20)5-6-15(22-16)17(21)24;1-23-8-7-18(26,17(23)25)6-5-11-3-2-4-12(9-11)16-21-13(15(20)24)10-14(19)22-16/h2-8,15-16,34H,10,12-14H2,1H3,(H2,27,32);3,5-6,13-14,18,32H,4,7,10-12,15H2,1-2H3,(H2,25,30);4-6,11-13,28H,9-10H2,1-3H3,(H2,22,26);4-6,11-12,28H,9-10H2,1-3H3,(H2,21,26);2-4,9-10,29H,7-8H2,1H3,(H2,23,27);2-6,11,26H,9-10H2,1H3,(H2,21,24);2-4,9-10,26H,7-8H2,1H3,(H2,20,24)(H2,19,21,22)/t26-;18?,24-;21-;20-;18-;19-;18-/m0000000/s1
InChIKeyAEAOFNLITFSZGJ-CMZKDCSLSA-N
MW2785.93 g/mol
LogP6.09
Rot. Bonds21

About 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide

6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 157085469) has the molecular formula C147H141F4N31O23 and a molecular weight of 2785.93 g/mol. Its IUPAC name is 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID157085469
Molecular FormulaC147H141F4N31O23
Molecular Weight2785.93 g/mol
Exact Mass2784.08
IUPAC Name6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(C(F)(F)F)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCc5ccccc54)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)ccc3F)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(N)cc(C(N)=O)n3)c2)C1=O.COCC1CCCN1c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CON(C)c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1
InChIInChI=1S/C26H23N5O3.C24H27N5O4.C21H22N4O3.C20H21N5O4.C19H15F3N4O3.C19H16FN3O3.C18H17N5O3/c1-30-14-12-26(34,25(30)33)11-9-17-5-4-7-19(15-17)24-28-20(23(27)32)16-22(29-24)31-13-10-18-6-2-3-8-21(18)31;1-28-12-10-24(32,23(28)31)9-8-16-5-3-6-17(13-16)22-26-19(21(25)30)14-20(27-22)29-11-4-7-18(29)15-33-2;1-13(2)16-12-17(18(22)26)24-19(23-16)15-6-4-5-14(11-15)7-8-21(28)9-10-25(3)20(21)27;1-24-10-9-20(28,19(24)27)8-7-13-5-4-6-14(11-13)18-22-15(17(21)26)12-16(23-18)25(2)29-3;1-26-8-7-18(29,17(26)28)6-5-11-3-2-4-12(9-11)16-24-13(15(23)27)10-14(25-16)19(20,21)22;1-23-10-9-19(26,18(23)25)8-7-12-3-2-4-13(11-12)16-14(20)5-6-15(22-16)17(21)24;1-23-8-7-18(26,17(23)25)6-5-11-3-2-4-12(9-11)16-21-13(15(20)24)10-14(19)22-16/h2-8,15-16,34H,10,12-14H2,1H3,(H2,27,32);3,5-6,13-14,18,32H,4,7,10-12,15H2,1-2H3,(H2,25,30);4-6,11-13,28H,9-10H2,1-3H3,(H2,22,26);4-6,11-12,28H,9-10H2,1-3H3,(H2,21,26);2-4,9-10,29H,7-8H2,1H3,(H2,23,27);2-6,11,26H,9-10H2,1H3,(H2,21,24);2-4,9-10,26H,7-8H2,1H3,(H2,20,24)(H2,19,21,22)/t26-;18?,24-;21-;20-;18-;19-;18-/m0000000/s1
InChIKeyAEAOFNLITFSZGJ-CMZKDCSLSA-N
XLogP6.09
TPSA807.18 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds21
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002785.93
LogP ≤ 56.09
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 157085469) is 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide is CC(C)c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(C(F)(F)F)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCc5ccccc54)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)ccc3F)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(N)cc(C(N)=O)n3)c2)C1=O.COCC1CCCN1c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CON(C)c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.
What is the InChIKey of 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is AEAOFNLITFSZGJ-CMZKDCSLSA-N. The full InChI is InChI=1S/C26H23N5O3.C24H27N5O4.C21H22N4O3.C20H21N5O4.C19H15F3N4O3.C19H16FN3O3.C18H17N5O3/c1-30-14-12-26(34,25(30)33)11-9-17-5-4-7-19(15-17)24-28-20(23(27)32)16-22(29-24)31-13-10-18-6-2-3-8-21(18)31;1-28-12-10-24(32,23(28)31)9-8-16-5-3-6-17(13-16)22-26-19(21(25)30)14-20(27-22)29-11-4-7-18(29)15-33-2;1-13(2)16-12-17(18(22)26)24-19(23-16)15-6-4-5-14(11-15)7-8-21(28)9-10-25(3)20(21)27;1-24-10-9-20(28,19(24)27)8-7-13-5-4-6-14(11-13)18-22-15(17(21)26)12-16(23-18)25(2)29-3;1-26-8-7-18(29,17(26)28)6-5-11-3-2-4-12(9-11)16-24-13(15(23)27)10-14(25-16)19(20,21)22;1-23-10-9-19(26,18(23)25)8-7-12-3-2-4-13(11-12)16-14(20)5-6-15(22-16)17(21)24;1-23-8-7-18(26,17(23)25)6-5-11-3-2-4-12(9-11)16-21-13(15(20)24)10-14(19)22-16/h2-8,15-16,34H,10,12-14H2,1H3,(H2,27,32);3,5-6,13-14,18,32H,4,7,10-12,15H2,1-2H3,(H2,25,30);4-6,11-13,28H,9-10H2,1-3H3,(H2,22,26);4-6,11-12,28H,9-10H2,1-3H3,(H2,21,26);2-4,9-10,29H,7-8H2,1H3,(H2,23,27);2-6,11,26H,9-10H2,1H3,(H2,21,24);2-4,9-10,26H,7-8H2,1H3,(H2,20,24)(H2,19,21,22)/t26-;18?,24-;21-;20-;18-;19-;18-/m0000000/s1.
What are the key properties of 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 2785.93 g/mol, XLogP of 6.09, 21 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(2,3-dihydroindol-1-yl)-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-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-propan-2-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 157085469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).