N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile

C156H184F2N34O7 — CID 167664104

IUPACN-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
SMILESC[C@@H]1CN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)CCC1(F)F.C[C@@H]1CN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)CCO1.C[C@@H]1C[C@H](C)CN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)C1.C[C@H]1CCCN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)C1.Cc1cc(C(C)(C)N2CCO[C@H](C)C2)cc2c1CN(c1cccc(C3(Cc4nncn4C)CC(C#N)C3)c1)C2=O
InChIInChI=1S/C32H39N7O.C32H38N6O2.C31H35F2N7O.C31H37N7O.C30H35N7O2/c1-21-9-22(2)18-39(17-21)19-23-10-28(25-7-8-25)36-29(11-23)31(40)35-27-6-4-5-26(12-27)32(13-24(14-32)16-33)15-30-37-34-20-38(30)3;1-21-11-25(31(3,4)37-9-10-40-22(2)18-37)13-27-28(21)19-38(30(27)39)26-8-6-7-24(12-26)32(14-23(15-32)17-33)16-29-35-34-20-36(29)5;1-20-17-40(9-8-31(20,32)33)18-21-10-26(23-6-7-23)37-27(11-21)29(41)36-25-5-3-4-24(12-25)30(13-22(14-30)16-34)15-28-38-35-19-39(28)2;1-21-5-4-10-38(18-21)19-22-11-27(24-8-9-24)35-28(12-22)30(39)34-26-7-3-6-25(13-26)31(14-23(15-31)17-32)16-29-36-33-20-37(29)2;1-20-17-37(8-9-39-20)18-21-10-26(23-6-7-23)34-27(11-21)29(38)33-25-5-3-4-24(12-25)30(13-22(14-30)16-31)15-28-35-32-19-36(28)2/h4-6,10-12,20-22,24-25H,7-9,13-15,17-19H2,1-3H3,(H,35,40);6-8,11-13,20,22-23H,9-10,14-16,18-19H2,1-5H3;3-5,10-12,19-20,22-23H,6-9,13-15,17-18H2,1-2H3,(H,36,41);3,6-7,11-13,20-21,23-24H,4-5,8-10,14-16,18-19H2,1-2H3,(H,34,39);3-5,10-12,19-20,22-23H,6-9,13-15,17-18H2,1-2H3,(H,33,38)/t21-,22+,24?,32?;22-,23?,32?;20-,22?,30?;21-,23?,31?;20-,22?,30?/m.1101/s1
InChIKeySJORJDVDWKYGIV-IOLKHMGBSA-N
MW2685.41 g/mol
LogP24.08
Rot. Bonds38

About N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile

N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile (PubChem CID 167664104) has the molecular formula C156H184F2N34O7 and a molecular weight of 2685.41 g/mol. Its IUPAC name is N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound NameN-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
PubChem CID167664104
Molecular FormulaC156H184F2N34O7
Molecular Weight2685.41 g/mol
Exact Mass2683.51
IUPAC NameN-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
SMILESC[C@@H]1CN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)CCC1(F)F.C[C@@H]1CN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)CCO1.C[C@@H]1C[C@H](C)CN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)C1.C[C@H]1CCCN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)C1.Cc1cc(C(C)(C)N2CCO[C@H](C)C2)cc2c1CN(c1cccc(C3(Cc4nncn4C)CC(C#N)C3)c1)C2=O
InChIInChI=1S/C32H39N7O.C32H38N6O2.C31H35F2N7O.C31H37N7O.C30H35N7O2/c1-21-9-22(2)18-39(17-21)19-23-10-28(25-7-8-25)36-29(11-23)31(40)35-27-6-4-5-26(12-27)32(13-24(14-32)16-33)15-30-37-34-20-38(30)3;1-21-11-25(31(3,4)37-9-10-40-22(2)18-37)13-27-28(21)19-38(30(27)39)26-8-6-7-24(12-26)32(14-23(15-32)17-33)16-29-35-34-20-36(29)5;1-20-17-40(9-8-31(20,32)33)18-21-10-26(23-6-7-23)37-27(11-21)29(41)36-25-5-3-4-24(12-25)30(13-22(14-30)16-34)15-28-38-35-19-39(28)2;1-21-5-4-10-38(18-21)19-22-11-27(24-8-9-24)35-28(12-22)30(39)34-26-7-3-6-25(13-26)31(14-23(15-31)17-32)16-29-36-33-20-37(29)2;1-20-17-37(8-9-39-20)18-21-10-26(23-6-7-23)34-27(11-21)29(38)33-25-5-3-4-24(12-25)30(13-22(14-30)16-31)15-28-35-32-19-36(28)2/h4-6,10-12,20-22,24-25H,7-9,13-15,17-19H2,1-3H3,(H,35,40);6-8,11-13,20,22-23H,9-10,14-16,18-19H2,1-5H3;3-5,10-12,19-20,22-23H,6-9,13-15,17-18H2,1-2H3,(H,36,41);3,6-7,11-13,20-21,23-24H,4-5,8-10,14-16,18-19H2,1-2H3,(H,34,39);3-5,10-12,19-20,22-23H,6-9,13-15,17-18H2,1-2H3,(H,33,38)/t21-,22+,24?,32?;22-,23?,32?;20-,22?,30?;21-,23?,31?;20-,22?,30?/m.1101/s1
InChIKeySJORJDVDWKYGIV-IOLKHMGBSA-N
XLogP24.08
TPSA495.43 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002685.41
LogP ≤ 524.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile (CID 167664104) is N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile is C[C@@H]1CN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)CCC1(F)F.C[C@@H]1CN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)CCO1.C[C@@H]1C[C@H](C)CN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)C1.C[C@H]1CCCN(Cc2cc(C(=O)Nc3cccc(C4(Cc5nncn5C)CC(C#N)C4)c3)nc(C3CC3)c2)C1.Cc1cc(C(C)(C)N2CCO[C@H](C)C2)cc2c1CN(c1cccc(C3(Cc4nncn4C)CC(C#N)C3)c1)C2=O.
What is the InChIKey of N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is SJORJDVDWKYGIV-IOLKHMGBSA-N. The full InChI is InChI=1S/C32H39N7O.C32H38N6O2.C31H35F2N7O.C31H37N7O.C30H35N7O2/c1-21-9-22(2)18-39(17-21)19-23-10-28(25-7-8-25)36-29(11-23)31(40)35-27-6-4-5-26(12-27)32(13-24(14-32)16-33)15-30-37-34-20-38(30)3;1-21-11-25(31(3,4)37-9-10-40-22(2)18-37)13-27-28(21)19-38(30(27)39)26-8-6-7-24(12-26)32(14-23(15-32)17-33)16-29-35-34-20-36(29)5;1-20-17-40(9-8-31(20,32)33)18-21-10-26(23-6-7-23)37-27(11-21)29(41)36-25-5-3-4-24(12-25)30(13-22(14-30)16-34)15-28-38-35-19-39(28)2;1-21-5-4-10-38(18-21)19-22-11-27(24-8-9-24)35-28(12-22)30(39)34-26-7-3-6-25(13-26)31(14-23(15-31)17-32)16-29-36-33-20-37(29)2;1-20-17-37(8-9-39-20)18-21-10-26(23-6-7-23)34-27(11-21)29(38)33-25-5-3-4-24(12-25)30(13-22(14-30)16-31)15-28-35-32-19-36(28)2/h4-6,10-12,20-22,24-25H,7-9,13-15,17-19H2,1-3H3,(H,35,40);6-8,11-13,20,22-23H,9-10,14-16,18-19H2,1-5H3;3-5,10-12,19-20,22-23H,6-9,13-15,17-18H2,1-2H3,(H,36,41);3,6-7,11-13,20-21,23-24H,4-5,8-10,14-16,18-19H2,1-2H3,(H,34,39);3-5,10-12,19-20,22-23H,6-9,13-15,17-18H2,1-2H3,(H,33,38)/t21-,22+,24?,32?;22-,23?,32?;20-,22?,30?;21-,23?,31?;20-,22?,30?/m.1101/s1.
What are the key properties of N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile?
N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 2685.41 g/mol, XLogP of 24.08, 38 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 167664104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).