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

C128H126F2N22O17S — CID 161166096

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;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
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.Cc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1O
InChIInChI=1S/C23H22F2N4O2.2C22H23N3O3.C21H21N3O3.C20H18N6O2S.C20H19N3O4/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;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/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);3-5,10-11,24,27H,8-9H2,1-2H3,(H2,21,25)/t3*22-;21-;2*20-/m000000/s1
InChIKeyUQOCAFNJOGFZMA-ZJZISQGOSA-N
MW2314.62 g/mol
LogP9.78
Rot. Bonds18

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;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

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 (PubChem CID 161166096) has the molecular formula C128H126F2N22O17S and a molecular weight of 2314.62 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;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.

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;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
PubChem CID161166096
Molecular FormulaC128H126F2N22O17S
Molecular Weight2314.62 g/mol
Exact Mass2312.94
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;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
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.Cc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1O
InChIInChI=1S/C23H22F2N4O2.2C22H23N3O3.C21H21N3O3.C20H18N6O2S.C20H19N3O4/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;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/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);3-5,10-11,24,27H,8-9H2,1-2H3,(H2,21,25)/t3*22-;21-;2*20-/m000000/s1
InChIKeyUQOCAFNJOGFZMA-ZJZISQGOSA-N
XLogP9.78
TPSA607.73 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002314.62
LogP ≤ 59.78
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

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;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 with MolForge

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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;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?
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;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) 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;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.
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;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?
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;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 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.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-[(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?
The InChIKey is UQOCAFNJOGFZMA-ZJZISQGOSA-N. The full InChI is InChI=1S/C23H22F2N4O2.2C22H23N3O3.C21H21N3O3.C20H18N6O2S.C20H19N3O4/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;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/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);3-5,10-11,24,27H,8-9H2,1-2H3,(H2,21,25)/t3*22-;21-;2*20-/m000000/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;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?
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 has a molecular weight of 2314.62 g/mol, XLogP of 9.78, 18 rotatable bonds, 15 hydrogen bond donors, and 33 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;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 is sourced from PubChem (CID 161166096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).