3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane

C130H134F2N22O13S — CID 162015255

About 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane

3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane (PubChem CID 162015255) has the molecular formula C130H134F2N22O13S and a molecular weight of 2282.71 g/mol. Its IUPAC name is 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane.

Molecular Properties

• Compound Name: 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane
• PubChem CID: 162015255
• Molecular Formula: C130H134F2N22O13S
• Molecular Weight: 2282.71 g/mol
• Exact Mass: 2281.02
• IUPAC Name: 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane
• SMILES: C.C=C1N(C)CC[C@@]1(C)C#Cc1cc(-c2cnc(N)c(C(N)=O)n2)c2ncsc2c1.C=C1N(C)CC[C@@]1(C)C#Cc1cccc(-c2cc(CO)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(C)C#Cc1cccc(-c2cc(COC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(C)C#Cc1cccc(-c2cc(OCC)cc(C(N)=O)n2)c1.CN1CC[C@@](C)(C#Cc2cc(F)c(F)c(-c3ccc(N)c(C(N)=O)n3)c2)C1=O.Cc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1O
• InChI: InChI=1S/2C23H25N3O2.C22H23N3O2.C21H20N6OS.C20H18F2N4O2.C20H19N3O4.CH4/c1-16-23(2,10-11-26(16)3)9-8-17-6-5-7-19(12-17)20-13-18(15-28-4)14-21(25-20)22(24)27;1-5-28-19-14-20(25-21(15-19)22(24)27)18-8-6-7-17(13-18)9-10-23(3)11-12-26(4)16(23)2;1-15-22(2,9-10-25(15)3)8-7-16-5-4-6-18(11-16)19-12-17(14-26)13-20(24-19)21(23)27;1-12-21(2,6-7-27(12)3)5-4-13-8-14(17-16(9-13)29-11-25-17)15-10-24-19(22)18(26-15)20(23)28;1-20(7-8-26(2)19(20)28)6-5-11-9-12(16(22)13(21)10-11)15-4-3-14(23)17(25-15)18(24)27;1-12-10-15(22-16(17(12)24)18(21)25)14-5-3-4-13(11-14)6-7-20(27)8-9-23(2)19(20)26;/h5-7,12-14H,1,10-11,15H2,2-4H3,(H2,24,27);6-8,13-15H,2,5,11-12H2,1,3-4H3,(H2,24,27);4-6,11-13,26H,1,9-10,14H2,2-3H3,(H2,23,27);8-11H,1,6-7H2,2-3H3,(H2,22,24)(H2,23,28);3-4,9-10H,7-8,23H2,1-2H3,(H2,24,27);3-5,10-11,24,27H,8-9H2,1-2H3,(H2,21,25);1H4/t2*23-;22-;21-;2*20-;/m111110./s1
• InChIKey: YUAFGARVZUVDPI-KZQCOWOOSA-N
• XLogP: 15.21
• TPSA: 546.43 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2282.71
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane?

The IUPAC name of 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane (CID 162015255) is 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane.

What is the SMILES notation for 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane?

The canonical SMILES for 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane is C.C=C1N(C)CC[C@@]1(C)C#Cc1cc(-c2cnc(N)c(C(N)=O)n2)c2ncsc2c1.C=C1N(C)CC[C@@]1(C)C#Cc1cccc(-c2cc(CO)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(C)C#Cc1cccc(-c2cc(COC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(C)C#Cc1cccc(-c2cc(OCC)cc(C(N)=O)n2)c1.CN1CC[C@@](C)(C#Cc2cc(F)c(F)c(-c3ccc(N)c(C(N)=O)n3)c2)C1=O.Cc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1O.

What is the InChIKey of 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane?

The InChIKey is YUAFGARVZUVDPI-KZQCOWOOSA-N. The full InChI is InChI=1S/2C23H25N3O2.C22H23N3O2.C21H20N6OS.C20H18F2N4O2.C20H19N3O4.CH4/c1-16-23(2,10-11-26(16)3)9-8-17-6-5-7-19(12-17)20-13-18(15-28-4)14-21(25-20)22(24)27;1-5-28-19-14-20(25-21(15-19)22(24)27)18-8-6-7-17(13-18)9-10-23(3)11-12-26(4)16(23)2;1-15-22(2,9-10-25(15)3)8-7-16-5-4-6-18(11-16)19-12-17(14-26)13-20(24-19)21(23)27;1-12-21(2,6-7-27(12)3)5-4-13-8-14(17-16(9-13)29-11-25-17)15-10-24-19(22)18(26-15)20(23)28;1-20(7-8-26(2)19(20)28)6-5-11-9-12(16(22)13(21)10-11)15-4-3-14(23)17(25-15)18(24)27;1-12-10-15(22-16(17(12)24)18(21)25)14-5-3-4-13(11-14)6-7-20(27)8-9-23(2)19(20)26;/h5-7,12-14H,1,10-11,15H2,2-4H3,(H2,24,27);6-8,13-15H,2,5,11-12H2,1,3-4H3,(H2,24,27);4-6,11-13,26H,1,9-10,14H2,2-3H3,(H2,23,27);8-11H,1,6-7H2,2-3H3,(H2,22,24)(H2,23,28);3-4,9-10H,7-8,23H2,1-2H3,(H2,24,27);3-5,10-11,24,27H,8-9H2,1-2H3,(H2,21,25);1H4/t2*23-;22-;21-;2*20-;/m111110./s1.

What are the key properties of 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane?

3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane has a molecular weight of 2282.71 g/mol, XLogP of 15.21, 17 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane is sourced from PubChem (CID 162015255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).