3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide

C108H107F2N19O13S — CID 161192326

IUPAC3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cnc(N)c(C(N)=O)n2)c2ncsc2c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(CO)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(COC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(N3CC(F)(F)C3)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(OCC)cc(C(N)=O)n2)c1
InChIInChI=1S/C23H22F2N4O2.2C22H23N3O3.C21H21N3O3.C20H18N6O2S/c1-15-22(31,8-9-28(15)2)7-6-16-4-3-5-17(10-16)19-11-18(12-20(27-19)21(26)30)29-13-23(24,25)14-29;1-15-22(27,9-10-25(15)2)8-7-16-5-4-6-18(11-16)19-12-17(14-28-3)13-20(24-19)21(23)26;1-4-28-18-13-19(24-20(14-18)21(23)26)17-7-5-6-16(12-17)8-9-22(27)10-11-25(3)15(22)2;1-14-21(27,8-9-24(14)2)7-6-15-4-3-5-17(10-15)18-11-16(13-25)12-19(23-18)20(22)26;1-11-20(28,5-6-26(11)2)4-3-12-7-13(16-15(8-12)29-10-24-16)14-9-23-18(21)17(25-14)19(22)27/h3-5,10-12,31H,1,8-9,13-14H2,2H3,(H2,26,30);4-6,11-13,27H,1,9-10,14H2,2-3H3,(H2,23,26);5-7,12-14,27H,2,4,10-11H2,1,3H3,(H2,23,26);3-5,10-12,25,27H,1,8-9,13H2,2H3,(H2,22,26);7-10,28H,1,5-6H2,2H3,(H2,21,23)(H2,22,27)/t3*22-;21-;20-/m00000/s1
InChIKeyUTWSFBJDEKAZFE-FDYCVNOPSA-N
MW1949.23 g/mol
LogP8.98
Rot. Bonds16

About 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide

3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide (PubChem CID 161192326) has the molecular formula C108H107F2N19O13S and a molecular weight of 1949.23 g/mol. Its IUPAC name is 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide
PubChem CID161192326
Molecular FormulaC108H107F2N19O13S
Molecular Weight1949.23 g/mol
Exact Mass1947.80
IUPAC Name3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cnc(N)c(C(N)=O)n2)c2ncsc2c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(CO)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(COC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(N3CC(F)(F)C3)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(OCC)cc(C(N)=O)n2)c1
InChIInChI=1S/C23H22F2N4O2.2C22H23N3O3.C21H21N3O3.C20H18N6O2S/c1-15-22(31,8-9-28(15)2)7-6-16-4-3-5-17(10-16)19-11-18(12-20(27-19)21(26)30)29-13-23(24,25)14-29;1-15-22(27,9-10-25(15)2)8-7-16-5-4-6-18(11-16)19-12-17(14-28-3)13-20(24-19)21(23)26;1-4-28-18-13-19(24-20(14-18)21(23)26)17-7-5-6-16(12-17)8-9-22(27)10-11-25(3)15(22)2;1-14-21(27,8-9-24(14)2)7-6-15-4-3-5-17(10-15)18-11-16(13-25)12-19(23-18)20(22)26;1-11-20(28,5-6-26(11)2)4-3-12-7-13(16-15(8-12)29-10-24-16)14-9-23-18(21)17(25-14)19(22)27/h3-5,10-12,31H,1,8-9,13-14H2,2H3,(H2,26,30);4-6,11-13,27H,1,9-10,14H2,2-3H3,(H2,23,26);5-7,12-14,27H,2,4,10-11H2,1,3H3,(H2,23,26);3-5,10-12,25,27H,1,8-9,13H2,2H3,(H2,22,26);7-10,28H,1,5-6H2,2H3,(H2,21,23)(H2,22,27)/t3*22-;21-;20-/m00000/s1
InChIKeyUTWSFBJDEKAZFE-FDYCVNOPSA-N
XLogP8.98
TPSA490.98 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001949.23
LogP ≤ 58.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide
CID 161166096
4-(difluoromethoxy)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;8-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide;6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyridine-2-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(trifluoromethyl)-7H-cyclopenta[c]pyridine-1-carboxamide
CID 161944474
4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;8-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide;6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyridine-2-carboxamide
CID 157140102
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide (CID 161192326) is 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cnc(N)c(C(N)=O)n2)c2ncsc2c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(CO)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(COC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(N3CC(F)(F)C3)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(OCC)cc(C(N)=O)n2)c1.
What is the InChIKey of 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide?
The InChIKey is UTWSFBJDEKAZFE-FDYCVNOPSA-N. The full InChI is InChI=1S/C23H22F2N4O2.2C22H23N3O3.C21H21N3O3.C20H18N6O2S/c1-15-22(31,8-9-28(15)2)7-6-16-4-3-5-17(10-16)19-11-18(12-20(27-19)21(26)30)29-13-23(24,25)14-29;1-15-22(27,9-10-25(15)2)8-7-16-5-4-6-18(11-16)19-12-17(14-28-3)13-20(24-19)21(23)26;1-4-28-18-13-19(24-20(14-18)21(23)26)17-7-5-6-16(12-17)8-9-22(27)10-11-25(3)15(22)2;1-14-21(27,8-9-24(14)2)7-6-15-4-3-5-17(10-15)18-11-16(13-25)12-19(23-18)20(22)26;1-11-20(28,5-6-26(11)2)4-3-12-7-13(16-15(8-12)29-10-24-16)14-9-23-18(21)17(25-14)19(22)27/h3-5,10-12,31H,1,8-9,13-14H2,2H3,(H2,26,30);4-6,11-13,27H,1,9-10,14H2,2-3H3,(H2,23,26);5-7,12-14,27H,2,4,10-11H2,1,3H3,(H2,23,26);3-5,10-12,25,27H,1,8-9,13H2,2H3,(H2,22,26);7-10,28H,1,5-6H2,2H3,(H2,21,23)(H2,22,27)/t3*22-;21-;20-/m00000/s1.
What are the key properties of 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide?
3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide has a molecular weight of 1949.23 g/mol, XLogP of 8.98, 16 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 161192326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).