4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide

C165H183N25O22S — CID 158245707

IUPAC4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide
SMILESCNC(=O)[C@@H](CC(=O)c1ccc(-c2ccc(-c3cn4cc(C)ccc4n3)cc2)o1)C(C)C.CNC(=O)[C@@H](CC(=O)c1ccc(-c2ccc(-c3cn4cc(C)ccc4n3)cc2)o1)C1CC1.CNC(=O)[C@@H](CC(=O)c1ccc(-c2ccc(-c3cn4cc(C)ccc4n3)cc2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1cc(-c2ccc(C#N)cn2)cn1C)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(N)c(N)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3ccccc3)cn2)o1)C1CCOCC1.CNC(=O)[C@@H](NC(=O)c1csc(-c2ccc(O)cn2)n1)C1CCCCC1
InChIInChI=1S/C29H31N3O3.C26H25N3O3.C26H27N3O3.C25H27N3O5.C21H25N5O2.C20H26N4O3.C18H22N4O3S/c1-19-8-15-28-31-24(18-32(28)17-19)21-9-11-22(12-10-21)26-13-14-27(35-26)25(33)16-23(29(34)30-2)20-6-4-3-5-7-20;1-16-3-12-25-28-21(15-29(25)14-16)18-6-8-19(9-7-18)23-10-11-24(32-23)22(30)13-20(17-4-5-17)26(31)27-2;1-16(2)20(26(31)27-4)13-22(30)24-11-10-23(32-24)19-8-6-18(7-9-19)21-15-29-14-17(3)5-12-25(29)28-21;1-26-25(30)23(18-11-13-31-14-12-18)28-24(29)22-10-9-21(33-22)20-8-7-19(15-27-20)32-16-17-5-3-2-4-6-17;1-23-21(28)19(15-6-4-3-5-7-15)25-20(27)18-10-16(13-26(18)2)17-9-8-14(11-22)12-24-17;1-23-20(26)18(12-5-3-2-4-6-12)24-19(25)17-10-9-16(27-17)13-7-8-14(21)15(22)11-13;1-19-17(25)15(11-5-3-2-4-6-11)22-16(24)14-10-26-18(21-14)13-8-7-12(23)9-20-13/h8-15,17-18,20,23H,3-7,16H2,1-2H3,(H,30,34);3,6-12,14-15,17,20H,4-5,13H2,1-2H3,(H,27,31);5-12,14-16,20H,13H2,1-4H3,(H,27,31);2-10,15,18,23H,11-14,16H2,1H3,(H,26,30)(H,28,29);8-10,12-13,15,19H,3-7H2,1-2H3,(H,23,28)(H,25,27);7-12,18H,2-6,21-22H2,1H3,(H,23,26)(H,24,25);7-11,15,23H,2-6H2,1H3,(H,19,25)(H,22,24)/t23-;2*20-;23-;19-;18-;15-/m0000000/s1
InChIKeyGGBZJCGTYHHLJH-HRMFQUBWSA-N
MW2900.50 g/mol
LogP26.61
Rot. Bonds44

About 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide

4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide (PubChem CID 158245707) has the molecular formula C165H183N25O22S and a molecular weight of 2900.50 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide
PubChem CID158245707
Molecular FormulaC165H183N25O22S
Molecular Weight2900.50 g/mol
Exact Mass2898.37
IUPAC Name4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide
SMILESCNC(=O)[C@@H](CC(=O)c1ccc(-c2ccc(-c3cn4cc(C)ccc4n3)cc2)o1)C(C)C.CNC(=O)[C@@H](CC(=O)c1ccc(-c2ccc(-c3cn4cc(C)ccc4n3)cc2)o1)C1CC1.CNC(=O)[C@@H](CC(=O)c1ccc(-c2ccc(-c3cn4cc(C)ccc4n3)cc2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1cc(-c2ccc(C#N)cn2)cn1C)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(N)c(N)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3ccccc3)cn2)o1)C1CCOCC1.CNC(=O)[C@@H](NC(=O)c1csc(-c2ccc(O)cn2)n1)C1CCCCC1
InChIInChI=1S/C29H31N3O3.C26H25N3O3.C26H27N3O3.C25H27N3O5.C21H25N5O2.C20H26N4O3.C18H22N4O3S/c1-19-8-15-28-31-24(18-32(28)17-19)21-9-11-22(12-10-21)26-13-14-27(35-26)25(33)16-23(29(34)30-2)20-6-4-3-5-7-20;1-16-3-12-25-28-21(15-29(25)14-16)18-6-8-19(9-7-18)23-10-11-24(32-23)22(30)13-20(17-4-5-17)26(31)27-2;1-16(2)20(26(31)27-4)13-22(30)24-11-10-23(32-24)19-8-6-18(7-9-19)21-15-29-14-17(3)5-12-25(29)28-21;1-26-25(30)23(18-11-13-31-14-12-18)28-24(29)22-10-9-21(33-22)20-8-7-19(15-27-20)32-16-17-5-3-2-4-6-17;1-23-21(28)19(15-6-4-3-5-7-15)25-20(27)18-10-16(13-26(18)2)17-9-8-14(11-22)12-24-17;1-23-20(26)18(12-5-3-2-4-6-12)24-19(25)17-10-9-16(27-17)13-7-8-14(21)15(22)11-13;1-19-17(25)15(11-5-3-2-4-6-11)22-16(24)14-10-26-18(21-14)13-8-7-12(23)9-20-13/h8-15,17-18,20,23H,3-7,16H2,1-2H3,(H,30,34);3,6-12,14-15,17,20H,4-5,13H2,1-2H3,(H,27,31);5-12,14-16,20H,13H2,1-4H3,(H,27,31);2-10,15,18,23H,11-14,16H2,1H3,(H,26,30)(H,28,29);8-10,12-13,15,19H,3-7H2,1-2H3,(H,23,28)(H,25,27);7-12,18H,2-6,21-22H2,1H3,(H,23,26)(H,24,25);7-11,15,23H,2-6H2,1H3,(H,19,25)(H,22,24)/t23-;2*20-;23-;19-;18-;15-/m0000000/s1
InChIKeyGGBZJCGTYHHLJH-HRMFQUBWSA-N
XLogP26.61
TPSA659.92 Ų
H-Bond Donors14
H-Bond Acceptors37
Rotatable Bonds44
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002900.50
LogP ≤ 526.61
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide (CID 158245707) is 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide is CNC(=O)[C@@H](CC(=O)c1ccc(-c2ccc(-c3cn4cc(C)ccc4n3)cc2)o1)C(C)C.CNC(=O)[C@@H](CC(=O)c1ccc(-c2ccc(-c3cn4cc(C)ccc4n3)cc2)o1)C1CC1.CNC(=O)[C@@H](CC(=O)c1ccc(-c2ccc(-c3cn4cc(C)ccc4n3)cc2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1cc(-c2ccc(C#N)cn2)cn1C)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(N)c(N)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3ccccc3)cn2)o1)C1CCOCC1.CNC(=O)[C@@H](NC(=O)c1csc(-c2ccc(O)cn2)n1)C1CCCCC1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide?
The InChIKey is GGBZJCGTYHHLJH-HRMFQUBWSA-N. The full InChI is InChI=1S/C29H31N3O3.C26H25N3O3.C26H27N3O3.C25H27N3O5.C21H25N5O2.C20H26N4O3.C18H22N4O3S/c1-19-8-15-28-31-24(18-32(28)17-19)21-9-11-22(12-10-21)26-13-14-27(35-26)25(33)16-23(29(34)30-2)20-6-4-3-5-7-20;1-16-3-12-25-28-21(15-29(25)14-16)18-6-8-19(9-7-18)23-10-11-24(32-23)22(30)13-20(17-4-5-17)26(31)27-2;1-16(2)20(26(31)27-4)13-22(30)24-11-10-23(32-24)19-8-6-18(7-9-19)21-15-29-14-17(3)5-12-25(29)28-21;1-26-25(30)23(18-11-13-31-14-12-18)28-24(29)22-10-9-21(33-22)20-8-7-19(15-27-20)32-16-17-5-3-2-4-6-17;1-23-21(28)19(15-6-4-3-5-7-15)25-20(27)18-10-16(13-26(18)2)17-9-8-14(11-22)12-24-17;1-23-20(26)18(12-5-3-2-4-6-12)24-19(25)17-10-9-16(27-17)13-7-8-14(21)15(22)11-13;1-19-17(25)15(11-5-3-2-4-6-11)22-16(24)14-10-26-18(21-14)13-8-7-12(23)9-20-13/h8-15,17-18,20,23H,3-7,16H2,1-2H3,(H,30,34);3,6-12,14-15,17,20H,4-5,13H2,1-2H3,(H,27,31);5-12,14-16,20H,13H2,1-4H3,(H,27,31);2-10,15,18,23H,11-14,16H2,1H3,(H,26,30)(H,28,29);8-10,12-13,15,19H,3-7H2,1-2H3,(H,23,28)(H,25,27);7-12,18H,2-6,21-22H2,1H3,(H,23,26)(H,24,25);7-11,15,23H,2-6H2,1H3,(H,19,25)(H,22,24)/t23-;2*20-;23-;19-;18-;15-/m0000000/s1.
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide?
4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide has a molecular weight of 2900.50 g/mol, XLogP of 26.61, 44 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(3,4-diaminophenyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-2-(5-hydroxy-2-pyridinyl)-1,3-thiazole-4-carboxamide;(2S)-2-cyclohexyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;(2S)-2-cyclopropyl-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxobutanamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-(5-phenylmethoxy-2-pyridinyl)furan-2-carboxamide;(2S)-N-methyl-4-[5-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-yl]-4-oxo-2-propan-2-ylbutanamide is sourced from PubChem (CID 158245707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).