6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide

C138H119F4N27O21 — CID 157151894

IUPAC6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4cc(F)cc(F)c4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4cc(F)ccc4F)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4cnccn4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(OC4COC4)cc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3ncc(CCC4COC4)c(C(N)=O)n3)c2)C1=O.Cc1ccc(-c2cc(C(N)=O)nc(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)n2)cn1
InChIInChI=1S/2C24H18F2N4O3.C24H21N5O3.C23H24N4O4.C22H18N6O3.C21H20N4O5/c1-30-8-7-24(33,23(30)32)6-5-14-3-2-4-15(9-14)22-28-19(13-20(29-22)21(27)31)16-10-17(25)12-18(26)11-16;1-30-10-9-24(33,23(30)32)8-7-14-3-2-4-15(11-14)22-28-19(13-20(29-22)21(27)31)17-12-16(25)5-6-18(17)26;1-15-6-7-18(14-26-15)19-13-20(21(25)30)28-22(27-19)17-5-3-4-16(12-17)8-9-24(32)10-11-29(2)23(24)31;1-27-10-9-23(30,22(27)29)8-7-15-3-2-4-17(11-15)21-25-12-18(19(26-21)20(24)28)6-5-16-13-31-14-16;1-28-10-7-22(31,21(28)30)6-5-14-3-2-4-15(11-14)20-26-16(12-17(27-20)19(23)29)18-13-24-8-9-25-18;1-25-8-7-21(28,20(25)27)6-5-13-3-2-4-14(9-13)19-23-16(18(22)26)10-17(24-19)30-15-11-29-12-15/h2-4,9-13,33H,7-8H2,1H3,(H2,27,31);2-6,11-13,33H,9-10H2,1H3,(H2,27,31);3-7,12-14,32H,10-11H2,1-2H3,(H2,25,30);2-4,11-12,16,30H,5-6,9-10,13-14H2,1H3,(H2,24,28);2-4,8-9,11-13,31H,7,10H2,1H3,(H2,23,29);2-4,9-10,15,28H,7-8,11-12H2,1H3,(H2,22,26)/t3*24-;23-;22-;21-/m000000/s1
InChIKeyALIVFNRPPNSPOE-LKJGIGMYSA-N
MW2567.63 g/mol
LogP7.20
Rot. Bonds21

About 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide

6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide (PubChem CID 157151894) has the molecular formula C138H119F4N27O21 and a molecular weight of 2567.63 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide
PubChem CID157151894
Molecular FormulaC138H119F4N27O21
Molecular Weight2567.63 g/mol
Exact Mass2565.90
IUPAC Name6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4cc(F)cc(F)c4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4cc(F)ccc4F)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4cnccn4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(OC4COC4)cc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3ncc(CCC4COC4)c(C(N)=O)n3)c2)C1=O.Cc1ccc(-c2cc(C(N)=O)nc(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)n2)cn1
InChIInChI=1S/2C24H18F2N4O3.C24H21N5O3.C23H24N4O4.C22H18N6O3.C21H20N4O5/c1-30-8-7-24(33,23(30)32)6-5-14-3-2-4-15(9-14)22-28-19(13-20(29-22)21(27)31)16-10-17(25)12-18(26)11-16;1-30-10-9-24(33,23(30)32)8-7-14-3-2-4-15(11-14)22-28-19(13-20(29-22)21(27)31)17-12-16(25)5-6-18(17)26;1-15-6-7-18(14-26-15)19-13-20(21(25)30)28-22(27-19)17-5-3-4-16(12-17)8-9-24(32)10-11-29(2)23(24)31;1-27-10-9-23(30,22(27)29)8-7-15-3-2-4-17(11-15)21-25-12-18(19(26-21)20(24)28)6-5-16-13-31-14-16;1-28-10-7-22(31,21(28)30)6-5-14-3-2-4-15(11-14)20-26-16(12-17(27-20)19(23)29)18-13-24-8-9-25-18;1-25-8-7-21(28,20(25)27)6-5-13-3-2-4-14(9-13)19-23-16(18(22)26)10-17(24-19)30-15-11-29-12-15/h2-4,9-13,33H,7-8H2,1H3,(H2,27,31);2-6,11-13,33H,9-10H2,1H3,(H2,27,31);3-7,12-14,32H,10-11H2,1-2H3,(H2,25,30);2-4,11-12,16,30H,5-6,9-10,13-14H2,1H3,(H2,24,28);2-4,8-9,11-13,31H,7,10H2,1H3,(H2,23,29);2-4,9-10,15,28H,7-8,11-12H2,1H3,(H2,22,26)/t3*24-;23-;22-;21-/m000000/s1
InChIKeyALIVFNRPPNSPOE-LKJGIGMYSA-N
XLogP7.20
TPSA722.82 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002567.63
LogP ≤ 57.20
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide (CID 157151894) is 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4cc(F)cc(F)c4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4cc(F)ccc4F)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4cnccn4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(OC4COC4)cc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3ncc(CCC4COC4)c(C(N)=O)n3)c2)C1=O.Cc1ccc(-c2cc(C(N)=O)nc(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)n2)cn1.
What is the InChIKey of 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide?
The InChIKey is ALIVFNRPPNSPOE-LKJGIGMYSA-N. The full InChI is InChI=1S/2C24H18F2N4O3.C24H21N5O3.C23H24N4O4.C22H18N6O3.C21H20N4O5/c1-30-8-7-24(33,23(30)32)6-5-14-3-2-4-15(9-14)22-28-19(13-20(29-22)21(27)31)16-10-17(25)12-18(26)11-16;1-30-10-9-24(33,23(30)32)8-7-14-3-2-4-15(11-14)22-28-19(13-20(29-22)21(27)31)17-12-16(25)5-6-18(17)26;1-15-6-7-18(14-26-15)19-13-20(21(25)30)28-22(27-19)17-5-3-4-16(12-17)8-9-24(32)10-11-29(2)23(24)31;1-27-10-9-23(30,22(27)29)8-7-15-3-2-4-17(11-15)21-25-12-18(19(26-21)20(24)28)6-5-16-13-31-14-16;1-28-10-7-22(31,21(28)30)6-5-14-3-2-4-15(11-14)20-26-16(12-17(27-20)19(23)29)18-13-24-8-9-25-18;1-25-8-7-21(28,20(25)27)6-5-13-3-2-4-14(9-13)19-23-16(18(22)26)10-17(24-19)30-15-11-29-12-15/h2-4,9-13,33H,7-8H2,1H3,(H2,27,31);2-6,11-13,33H,9-10H2,1H3,(H2,27,31);3-7,12-14,32H,10-11H2,1-2H3,(H2,25,30);2-4,11-12,16,30H,5-6,9-10,13-14H2,1H3,(H2,24,28);2-4,8-9,11-13,31H,7,10H2,1H3,(H2,23,29);2-4,9-10,15,28H,7-8,11-12H2,1H3,(H2,22,26)/t3*24-;23-;22-;21-/m000000/s1.
What are the key properties of 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide?
6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide has a molecular weight of 2567.63 g/mol, XLogP of 7.20, 21 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-(3,5-difluorophenyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-[2-(oxetan-3-yl)ethyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(oxetan-3-yloxy)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 157151894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).