1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane

C151H142F10N28O20 — CID 159349338

IUPAC1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane
SMILESC.C.C=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(OC)cc(C(N)=O)n2)c(F)cc1F.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(-n3cc(F)cn3)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(OCC(F)(F)F)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cccc(-c3ccc(C(F)F)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4c(n3)N(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4cnn(C5CC5)c4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)ccc3C(F)F)c2)C1=O
InChIInChI=1S/C23H20FN5O2.C22H20F3N3O3.C22H20N6O3.C21H19F2N3O3.C21H21N5O3.2C20H17F2N3O3.2CH4/c1-15-23(31,8-9-28(15)2)7-6-16-4-3-5-17(10-16)20-11-19(12-21(27-20)22(25)30)29-14-18(24)13-26-29;1-14-21(30,8-9-28(14)2)7-6-15-4-3-5-16(10-15)18-11-17(31-13-22(23,24)25)12-19(27-18)20(26)29;1-27-10-9-22(31,21(27)30)8-7-13-3-2-4-14(11-13)19-25-17(18(23)29)16-12-24-28(15-5-6-15)20(16)26-19;1-12-21(28,6-7-26(12)2)5-4-13-8-15(17(23)11-16(13)22)18-9-14(29-3)10-19(25-18)20(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;1-25-10-9-20(28,19(25)27)8-7-12-3-2-4-13(11-12)16-14(17(21)22)5-6-15(24-16)18(23)26;1-25-10-9-20(28,19(25)27)8-7-12-3-2-4-13(11-12)15-6-5-14(17(21)22)16(24-15)18(23)26;;/h3-5,10-14,31H,1,8-9H2,2H3,(H2,25,30);3-5,10-12,30H,1,8-9,13H2,2H3,(H2,26,29);2-4,11-12,15,31H,5-6,9-10H2,1H3,(H2,23,29);8-11,28H,1,6-7H2,2-3H3,(H2,24,27);3-5,12,29H,7,9-11H2,1-2H3,(H2,22,27);2*2-6,11,17,28H,9-10H2,1H3,(H2,23,26);2*1H4/t23-;21-;22-;2*21-;2*20-;;/m0000000../s1
InChIKeyLHCZNSPXCAFIKD-DBRBYCELSA-N
MW2858.95 g/mol
LogP12.67
Rot. Bonds21

About 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane

1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane (PubChem CID 159349338) has the molecular formula C151H142F10N28O20 and a molecular weight of 2858.95 g/mol. Its IUPAC name is 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane.

Molecular Properties

Compound Name1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane
PubChem CID159349338
Molecular FormulaC151H142F10N28O20
Molecular Weight2858.95 g/mol
Exact Mass2857.08
IUPAC Name1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane
SMILESC.C.C=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(OC)cc(C(N)=O)n2)c(F)cc1F.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(-n3cc(F)cn3)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(OCC(F)(F)F)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cccc(-c3ccc(C(F)F)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4c(n3)N(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4cnn(C5CC5)c4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)ccc3C(F)F)c2)C1=O
InChIInChI=1S/C23H20FN5O2.C22H20F3N3O3.C22H20N6O3.C21H19F2N3O3.C21H21N5O3.2C20H17F2N3O3.2CH4/c1-15-23(31,8-9-28(15)2)7-6-16-4-3-5-17(10-16)20-11-19(12-21(27-20)22(25)30)29-14-18(24)13-26-29;1-14-21(30,8-9-28(14)2)7-6-15-4-3-5-16(10-15)18-11-17(31-13-22(23,24)25)12-19(27-18)20(26)29;1-27-10-9-22(31,21(27)30)8-7-13-3-2-4-14(11-13)19-25-17(18(23)29)16-12-24-28(15-5-6-15)20(16)26-19;1-12-21(28,6-7-26(12)2)5-4-13-8-15(17(23)11-16(13)22)18-9-14(29-3)10-19(25-18)20(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;1-25-10-9-20(28,19(25)27)8-7-12-3-2-4-13(11-12)16-14(17(21)22)5-6-15(24-16)18(23)26;1-25-10-9-20(28,19(25)27)8-7-12-3-2-4-13(11-12)15-6-5-14(17(21)22)16(24-15)18(23)26;;/h3-5,10-14,31H,1,8-9H2,2H3,(H2,25,30);3-5,10-12,30H,1,8-9,13H2,2H3,(H2,26,29);2-4,11-12,15,31H,5-6,9-10H2,1H3,(H2,23,29);8-11,28H,1,6-7H2,2-3H3,(H2,24,27);3-5,12,29H,7,9-11H2,1-2H3,(H2,22,27);2*2-6,11,17,28H,9-10H2,1H3,(H2,23,26);2*1H4/t23-;21-;22-;2*21-;2*20-;;/m0000000../s1
InChIKeyLHCZNSPXCAFIKD-DBRBYCELSA-N
XLogP12.67
TPSA707.55 Ų
H-Bond Donors14
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002858.95
LogP ≤ 512.67
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane?
The IUPAC name of 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane (CID 159349338) is 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane.
What is the SMILES notation for 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane?
The canonical SMILES for 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane is C.C.C=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(OC)cc(C(N)=O)n2)c(F)cc1F.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(-n3cc(F)cn3)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(OCC(F)(F)F)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cccc(-c3ccc(C(F)F)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4c(n3)N(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4cnn(C5CC5)c4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)ccc3C(F)F)c2)C1=O.
What is the InChIKey of 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane?
The InChIKey is LHCZNSPXCAFIKD-DBRBYCELSA-N. The full InChI is InChI=1S/C23H20FN5O2.C22H20F3N3O3.C22H20N6O3.C21H19F2N3O3.C21H21N5O3.2C20H17F2N3O3.2CH4/c1-15-23(31,8-9-28(15)2)7-6-16-4-3-5-17(10-16)20-11-19(12-21(27-20)22(25)30)29-14-18(24)13-26-29;1-14-21(30,8-9-28(14)2)7-6-15-4-3-5-16(10-15)18-11-17(31-13-22(23,24)25)12-19(27-18)20(26)29;1-27-10-9-22(31,21(27)30)8-7-13-3-2-4-14(11-13)19-25-17(18(23)29)16-12-24-28(15-5-6-15)20(16)26-19;1-12-21(28,6-7-26(12)2)5-4-13-8-15(17(23)11-16(13)22)18-9-14(29-3)10-19(25-18)20(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;1-25-10-9-20(28,19(25)27)8-7-12-3-2-4-13(11-12)16-14(17(21)22)5-6-15(24-16)18(23)26;1-25-10-9-20(28,19(25)27)8-7-12-3-2-4-13(11-12)15-6-5-14(17(21)22)16(24-15)18(23)26;;/h3-5,10-14,31H,1,8-9H2,2H3,(H2,25,30);3-5,10-12,30H,1,8-9,13H2,2H3,(H2,26,29);2-4,11-12,15,31H,5-6,9-10H2,1H3,(H2,23,29);8-11,28H,1,6-7H2,2-3H3,(H2,24,27);3-5,12,29H,7,9-11H2,1-2H3,(H2,22,27);2*2-6,11,17,28H,9-10H2,1H3,(H2,23,26);2*1H4/t23-;21-;22-;2*21-;2*20-;;/m0000000../s1.
What are the key properties of 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane?
1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane has a molecular weight of 2858.95 g/mol, XLogP of 12.67, 21 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;methane is sourced from PubChem (CID 159349338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).