4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol

C189H210N50O18 — CID 158575570

IUPAC4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol
SMILESCO.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C(=O)N5CCCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C(=O)N5CCN(C)CC5)c4)cc3c2)c1C.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)N(C)C)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)N4CCCC4)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)N4CCCCC4)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)NCCN(C)C)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)NCCOC)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(N)=O)c3)cc2c1)\C(C)=C(\C)N
InChIInChI=1S/C25H27N7O2.C25H26N6O2.C25H28N6O2.C24H29N7O2.C24H26N6O2.C23H26N6O3.C22H24N6O2.C20H20N6O2.CH4O/c1-15-16(2)29-30-23(15)22(33)11-17-10-19-13-20(28-24(19)27-14-17)18-4-5-26-21(12-18)25(34)32-8-6-31(3)7-9-32;1-15-16(2)29-30-23(15)22(32)11-17-10-19-13-20(28-24(19)27-14-17)18-6-7-26-21(12-18)25(33)31-8-4-3-5-9-31;1-15(16(2)26)23(27)22(32)11-17-10-19-13-20(30-24(19)29-14-17)18-6-7-28-21(12-18)25(33)31-8-4-3-5-9-31;1-14(15(2)25)22(26)21(32)10-16-9-18-12-19(30-23(18)29-13-16)17-5-6-27-20(11-17)24(33)28-7-8-31(3)4;1-14(15(2)25)22(26)21(31)10-16-9-18-12-19(29-23(18)28-13-16)17-5-6-27-20(11-17)24(32)30-7-3-4-8-30;1-13(14(2)24)21(25)20(30)9-15-8-17-11-18(29-22(17)28-12-15)16-4-5-26-19(10-16)23(31)27-6-7-32-3;1-12(13(2)23)20(24)19(29)8-14-7-16-10-17(27-21(16)26-11-14)15-5-6-25-18(9-15)22(30)28(3)4;1-10(11(2)21)18(22)17(27)6-12-5-14-8-15(26-20(14)25-9-12)13-3-4-24-16(7-13)19(23)28;1-2/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,27,28)(H,29,30);6-7,10,12-14H,3-5,8-9,11H2,1-2H3,(H,27,28)(H,29,30);6-7,10,12-14,27H,3-5,8-9,11,26H2,1-2H3,(H,29,30);5-6,9,11-13,26H,7-8,10,25H2,1-4H3,(H,28,33)(H,29,30);5-6,9,11-13,26H,3-4,7-8,10,25H2,1-2H3,(H,28,29);4-5,8,10-12,25H,6-7,9,24H2,1-3H3,(H,27,31)(H,28,29);5-7,9-11,24H,8,23H2,1-4H3,(H,26,27);3-5,7-9,22H,6,21H2,1-2H3,(H2,23,28)(H,25,26);2H,1H3/b;;16-15-,27-23+;2*15-14-,26-22+;14-13-,25-21+;13-12-,24-20+;11-10-,22-18+;
InChIKeyHSPPDIVNVWNJFC-IRHOGLRTSA-N
MW3470.09 g/mol
LogP22.79
Rot. Bonds52

About 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol

4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol (PubChem CID 158575570) has the molecular formula C189H210N50O18 and a molecular weight of 3470.09 g/mol. Its IUPAC name is 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol.

Molecular Properties

Compound Name4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol
PubChem CID158575570
Molecular FormulaC189H210N50O18
Molecular Weight3470.09 g/mol
Exact Mass3467.71
IUPAC Name4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol
SMILESCO.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C(=O)N5CCCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C(=O)N5CCN(C)CC5)c4)cc3c2)c1C.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)N(C)C)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)N4CCCC4)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)N4CCCCC4)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)NCCN(C)C)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)NCCOC)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(N)=O)c3)cc2c1)\C(C)=C(\C)N
InChIInChI=1S/C25H27N7O2.C25H26N6O2.C25H28N6O2.C24H29N7O2.C24H26N6O2.C23H26N6O3.C22H24N6O2.C20H20N6O2.CH4O/c1-15-16(2)29-30-23(15)22(33)11-17-10-19-13-20(28-24(19)27-14-17)18-4-5-26-21(12-18)25(34)32-8-6-31(3)7-9-32;1-15-16(2)29-30-23(15)22(32)11-17-10-19-13-20(28-24(19)27-14-17)18-6-7-26-21(12-18)25(33)31-8-4-3-5-9-31;1-15(16(2)26)23(27)22(32)11-17-10-19-13-20(30-24(19)29-14-17)18-6-7-28-21(12-18)25(33)31-8-4-3-5-9-31;1-14(15(2)25)22(26)21(32)10-16-9-18-12-19(30-23(18)29-13-16)17-5-6-27-20(11-17)24(33)28-7-8-31(3)4;1-14(15(2)25)22(26)21(31)10-16-9-18-12-19(29-23(18)28-13-16)17-5-6-27-20(11-17)24(32)30-7-3-4-8-30;1-13(14(2)24)21(25)20(30)9-15-8-17-11-18(29-22(17)28-12-15)16-4-5-26-19(10-16)23(31)27-6-7-32-3;1-12(13(2)23)20(24)19(29)8-14-7-16-10-17(27-21(16)26-11-14)15-5-6-25-18(9-15)22(30)28(3)4;1-10(11(2)21)18(22)17(27)6-12-5-14-8-15(26-20(14)25-9-12)13-3-4-24-16(7-13)19(23)28;1-2/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,27,28)(H,29,30);6-7,10,12-14H,3-5,8-9,11H2,1-2H3,(H,27,28)(H,29,30);6-7,10,12-14,27H,3-5,8-9,11,26H2,1-2H3,(H,29,30);5-6,9,11-13,26H,7-8,10,25H2,1-4H3,(H,28,33)(H,29,30);5-6,9,11-13,26H,3-4,7-8,10,25H2,1-2H3,(H,28,29);4-5,8,10-12,25H,6-7,9,24H2,1-3H3,(H,27,31)(H,28,29);5-7,9-11,24H,8,23H2,1-4H3,(H,26,27);3-5,7-9,22H,6,21H2,1-2H3,(H2,23,28)(H,25,26);2H,1H3/b;;16-15-,27-23+;2*15-14-,26-22+;14-13-,25-21+;13-12-,24-20+;11-10-,22-18+;
InChIKeyHSPPDIVNVWNJFC-IRHOGLRTSA-N
XLogP22.79
TPSA1064.48 Ų
H-Bond Donors26
H-Bond Acceptors50
Rotatable Bonds52
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003470.09
LogP ≤ 522.79
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1050

Analyze 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol?
The IUPAC name of 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol (CID 158575570) is 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol.
What is the SMILES notation for 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol?
The canonical SMILES for 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol is CO.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C(=O)N5CCCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C(=O)N5CCN(C)CC5)c4)cc3c2)c1C.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)N(C)C)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)N4CCCC4)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)N4CCCCC4)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)NCCN(C)C)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(=O)NCCOC)c3)cc2c1)\C(C)=C(\C)N.[H]/N=C(C(=O)Cc1cnc2[nH]c(-c3ccnc(C(N)=O)c3)cc2c1)\C(C)=C(\C)N.
What is the InChIKey of 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol?
The InChIKey is HSPPDIVNVWNJFC-IRHOGLRTSA-N. The full InChI is InChI=1S/C25H27N7O2.C25H26N6O2.C25H28N6O2.C24H29N7O2.C24H26N6O2.C23H26N6O3.C22H24N6O2.C20H20N6O2.CH4O/c1-15-16(2)29-30-23(15)22(33)11-17-10-19-13-20(28-24(19)27-14-17)18-4-5-26-21(12-18)25(34)32-8-6-31(3)7-9-32;1-15-16(2)29-30-23(15)22(32)11-17-10-19-13-20(28-24(19)27-14-17)18-6-7-26-21(12-18)25(33)31-8-4-3-5-9-31;1-15(16(2)26)23(27)22(32)11-17-10-19-13-20(30-24(19)29-14-17)18-6-7-28-21(12-18)25(33)31-8-4-3-5-9-31;1-14(15(2)25)22(26)21(32)10-16-9-18-12-19(30-23(18)29-13-16)17-5-6-27-20(11-17)24(33)28-7-8-31(3)4;1-14(15(2)25)22(26)21(31)10-16-9-18-12-19(29-23(18)28-13-16)17-5-6-27-20(11-17)24(32)30-7-3-4-8-30;1-13(14(2)24)21(25)20(30)9-15-8-17-11-18(29-22(17)28-12-15)16-4-5-26-19(10-16)23(31)27-6-7-32-3;1-12(13(2)23)20(24)19(29)8-14-7-16-10-17(27-21(16)26-11-14)15-5-6-25-18(9-15)22(30)28(3)4;1-10(11(2)21)18(22)17(27)6-12-5-14-8-15(26-20(14)25-9-12)13-3-4-24-16(7-13)19(23)28;1-2/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,27,28)(H,29,30);6-7,10,12-14H,3-5,8-9,11H2,1-2H3,(H,27,28)(H,29,30);6-7,10,12-14,27H,3-5,8-9,11,26H2,1-2H3,(H,29,30);5-6,9,11-13,26H,7-8,10,25H2,1-4H3,(H,28,33)(H,29,30);5-6,9,11-13,26H,3-4,7-8,10,25H2,1-2H3,(H,28,29);4-5,8,10-12,25H,6-7,9,24H2,1-3H3,(H,27,31)(H,28,29);5-7,9-11,24H,8,23H2,1-4H3,(H,26,27);3-5,7-9,22H,6,21H2,1-2H3,(H2,23,28)(H,25,26);2H,1H3/b;;16-15-,27-23+;2*15-14-,26-22+;14-13-,25-21+;13-12-,24-20+;11-10-,22-18+;.
What are the key properties of 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol?
4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol has a molecular weight of 3470.09 g/mol, XLogP of 22.79, 52 rotatable bonds, 26 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;(Z)-5-amino-3-imino-4-methyl-1-[2-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]hex-4-en-2-one;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(piperidine-1-carbonyl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;methanol is sourced from PubChem (CID 158575570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).