5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide

C152H134FN27O21S2 — CID 158605288

IUPAC5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cccc(-c3cc4c(F)cccc4c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3cc4ccccc4c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccn(C)c4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4sccc4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)nc4ccsc34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CC(C)(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CCC4)c2)C1=O
InChIInChI=1S/C24H26N4O3.C23H18FN3O3.C23H19N3O3.C21H19N5O3.C21H20N4O3.2C20H16N4O3S/c1-23(2)9-8-18-17(14-23)19(20(25)29)27-21(26-18)16-6-4-5-15(13-16)7-10-24(31)11-12-28(3)22(24)30;1-27-11-10-23(30,22(27)29)9-8-14-4-2-5-15(12-14)19-13-17-16(6-3-7-18(17)24)20(26-19)21(25)28;1-26-12-11-23(29,22(26)28)10-9-15-5-4-7-17(13-15)19-14-16-6-2-3-8-18(16)20(25-19)21(24)27;1-25-10-7-15-16(17(22)27)23-18(24-19(15)25)14-5-3-4-13(12-14)6-8-21(29)9-11-26(2)20(21)28;1-25-11-10-21(28,20(25)27)9-8-13-4-2-5-14(12-13)19-23-16-7-3-6-15(16)17(24-19)18(22)26;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)18-22-14-6-10-28-16(14)15(23-18)17(21)25;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)15-16-14(6-10-28-16)22-18(23-15)17(21)25/h4-6,13,31H,8-9,11-12,14H2,1-3H3,(H2,25,29);2-7,12-13,30H,10-11H2,1H3,(H2,25,28);2-8,13-14,29H,11-12H2,1H3,(H2,24,27);3-5,7,10,12,29H,9,11H2,1-2H3,(H2,22,27);2,4-5,12,28H,3,6-7,10-11H2,1H3,(H2,22,26);2*2-4,6,10-11,27H,8-9H2,1H3,(H2,21,25)/t24-;2*23-;2*21-;2*20-/m0000000/s1
InChIKeyHWDKKJMRASLHNM-ZEMJJFQKSA-N
MW2758.04 g/mol
LogP9.89
Rot. Bonds14

About 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide

5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide (PubChem CID 158605288) has the molecular formula C152H134FN27O21S2 and a molecular weight of 2758.04 g/mol. Its IUPAC name is 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide
PubChem CID158605288
Molecular FormulaC152H134FN27O21S2
Molecular Weight2758.04 g/mol
Exact Mass2755.97
IUPAC Name5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cccc(-c3cc4c(F)cccc4c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3cc4ccccc4c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccn(C)c4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4sccc4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)nc4ccsc34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CC(C)(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CCC4)c2)C1=O
InChIInChI=1S/C24H26N4O3.C23H18FN3O3.C23H19N3O3.C21H19N5O3.C21H20N4O3.2C20H16N4O3S/c1-23(2)9-8-18-17(14-23)19(20(25)29)27-21(26-18)16-6-4-5-15(13-16)7-10-24(31)11-12-28(3)22(24)30;1-27-11-10-23(30,22(27)29)9-8-14-4-2-5-15(12-14)19-13-17-16(6-3-7-18(17)24)20(26-19)21(25)28;1-26-12-11-23(29,22(26)28)10-9-15-5-4-7-17(13-15)19-14-16-6-2-3-8-18(16)20(25-19)21(24)27;1-25-10-7-15-16(17(22)27)23-18(24-19(15)25)14-5-3-4-13(12-14)6-8-21(29)9-11-26(2)20(21)28;1-25-11-10-21(28,20(25)27)9-8-13-4-2-5-14(12-13)19-23-16-7-3-6-15(16)17(24-19)18(22)26;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)18-22-14-6-10-28-16(14)15(23-18)17(21)25;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)15-16-14(6-10-28-16)22-18(23-15)17(21)25/h4-6,13,31H,8-9,11-12,14H2,1-3H3,(H2,25,29);2-7,12-13,30H,10-11H2,1H3,(H2,25,28);2-8,13-14,29H,11-12H2,1H3,(H2,24,27);3-5,7,10,12,29H,9,11H2,1-2H3,(H2,22,27);2,4-5,12,28H,3,6-7,10-11H2,1H3,(H2,22,26);2*2-4,6,10-11,27H,8-9H2,1H3,(H2,21,25)/t24-;2*23-;2*21-;2*20-/m0000000/s1
InChIKeyHWDKKJMRASLHNM-ZEMJJFQKSA-N
XLogP9.89
TPSA745.02 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds14
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002758.04
LogP ≤ 59.89
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide?
The IUPAC name of 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide (CID 158605288) is 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-c3cc4c(F)cccc4c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3cc4ccccc4c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccn(C)c4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4sccc4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)nc4ccsc34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CC(C)(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CCC4)c2)C1=O.
What is the InChIKey of 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide?
The InChIKey is HWDKKJMRASLHNM-ZEMJJFQKSA-N. The full InChI is InChI=1S/C24H26N4O3.C23H18FN3O3.C23H19N3O3.C21H19N5O3.C21H20N4O3.2C20H16N4O3S/c1-23(2)9-8-18-17(14-23)19(20(25)29)27-21(26-18)16-6-4-5-15(13-16)7-10-24(31)11-12-28(3)22(24)30;1-27-11-10-23(30,22(27)29)9-8-14-4-2-5-15(12-14)19-13-17-16(6-3-7-18(17)24)20(26-19)21(25)28;1-26-12-11-23(29,22(26)28)10-9-15-5-4-7-17(13-15)19-14-16-6-2-3-8-18(16)20(25-19)21(24)27;1-25-10-7-15-16(17(22)27)23-18(24-19(15)25)14-5-3-4-13(12-14)6-8-21(29)9-11-26(2)20(21)28;1-25-11-10-21(28,20(25)27)9-8-13-4-2-5-14(12-13)19-23-16-7-3-6-15(16)17(24-19)18(22)26;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)18-22-14-6-10-28-16(14)15(23-18)17(21)25;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)15-16-14(6-10-28-16)22-18(23-15)17(21)25/h4-6,13,31H,8-9,11-12,14H2,1-3H3,(H2,25,29);2-7,12-13,30H,10-11H2,1H3,(H2,25,28);2-8,13-14,29H,11-12H2,1H3,(H2,24,27);3-5,7,10,12,29H,9,11H2,1-2H3,(H2,22,27);2,4-5,12,28H,3,6-7,10-11H2,1H3,(H2,22,26);2*2-4,6,10-11,27H,8-9H2,1H3,(H2,21,25)/t24-;2*23-;2*21-;2*20-/m0000000/s1.
What are the key properties of 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide?
5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide has a molecular weight of 2758.04 g/mol, XLogP of 9.89, 14 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 158605288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).