2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide

C213H235F8N43O24 — CID 157415303

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2C3CCC2COC3)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2(C)C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOC[C@H]2C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2C3CCC2COC3)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOC[C@H]2C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2C3CCC2COC3)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOC(C)(C)C2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOC[C@H]2C)c(=O)n(C)n1
InChIInChI=1S/C28H30N6O3.C28H32N6O3.C27H30FN5O3.C27H30N6O3.C26H27F2N5O3.C26H29F2N5O3.C26H30FN5O3.C25H27F2N5O3/c1-17-5-6-19(31-26(35)18-9-10-30-25(11-18)28(2,3)16-29)12-22(17)23-13-24(27(36)33(4)32-23)34-20-7-8-21(34)15-37-14-20;1-18-7-8-20(31-25(35)19-9-10-30-24(13-19)27(2,3)16-29)14-21(18)22-15-23(26(36)33(6)32-22)34-11-12-37-17-28(34,4)5;1-16-5-6-18(30-25(34)17-9-10-29-24(11-17)27(2,3)28)12-21(16)22-13-23(26(35)32(4)31-22)33-19-7-8-20(33)15-36-14-19;1-17-6-7-20(30-25(34)19-8-9-29-24(12-19)27(3,4)16-28)13-21(17)22-14-23(26(35)32(5)31-22)33-10-11-36-15-18(33)2;1-15-4-5-17(30-24(34)16-8-9-29-23(10-16)26(2,27)28)11-20(15)21-12-22(25(35)32(3)31-21)33-18-6-7-19(33)14-36-13-18;1-16-6-7-18(30-23(34)17-8-9-29-22(12-17)26(4,27)28)13-19(16)20-14-21(24(35)32(5)31-20)33-10-11-36-25(2,3)15-33;1-16-6-7-19(29-24(33)18-8-9-28-23(12-18)26(3,4)27)13-20(16)21-14-22(25(34)31(5)30-21)32-10-11-35-15-17(32)2;1-15-5-6-18(29-23(33)17-7-8-28-22(11-17)25(3,26)27)12-19(15)20-13-21(24(34)31(4)30-20)32-9-10-35-14-16(32)2/h5-6,9-13,20-21H,7-8,14-15H2,1-4H3,(H,31,35);7-10,13-15H,11-12,17H2,1-6H3,(H,31,35);5-6,9-13,19-20H,7-8,14-15H2,1-4H3,(H,30,34);6-9,12-14,18H,10-11,15H2,1-5H3,(H,30,34);4-5,8-12,18-19H,6-7,13-14H2,1-3H3,(H,30,34);6-9,12-14H,10-11,15H2,1-5H3,(H,30,34);6-9,12-14,17H,10-11,15H2,1-5H3,(H,29,33);5-8,11-13,16H,9-10,14H2,1-4H3,(H,29,33)/t;;;18-;;;17-;16-/m...1..11/s1
InChIKeyBOTSRHZCPLGLOM-GIJLNNLJSA-N
MW3933.48 g/mol
LogP30.38
Rot. Bonds40

About 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide (PubChem CID 157415303) has the molecular formula C213H235F8N43O24 and a molecular weight of 3933.48 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide
PubChem CID157415303
Molecular FormulaC213H235F8N43O24
Molecular Weight3933.48 g/mol
Exact Mass3930.84
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2C3CCC2COC3)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2(C)C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOC[C@H]2C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2C3CCC2COC3)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOC[C@H]2C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2C3CCC2COC3)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOC(C)(C)C2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOC[C@H]2C)c(=O)n(C)n1
InChIInChI=1S/C28H30N6O3.C28H32N6O3.C27H30FN5O3.C27H30N6O3.C26H27F2N5O3.C26H29F2N5O3.C26H30FN5O3.C25H27F2N5O3/c1-17-5-6-19(31-26(35)18-9-10-30-25(11-18)28(2,3)16-29)12-22(17)23-13-24(27(36)33(4)32-23)34-20-7-8-21(34)15-37-14-20;1-18-7-8-20(31-25(35)19-9-10-30-24(13-19)27(2,3)16-29)14-21(18)22-15-23(26(36)33(6)32-22)34-11-12-37-17-28(34,4)5;1-16-5-6-18(30-25(34)17-9-10-29-24(11-17)27(2,3)28)12-21(16)22-13-23(26(35)32(4)31-22)33-19-7-8-20(33)15-36-14-19;1-17-6-7-20(30-25(34)19-8-9-29-24(12-19)27(3,4)16-28)13-21(17)22-14-23(26(35)32(5)31-22)33-10-11-36-15-18(33)2;1-15-4-5-17(30-24(34)16-8-9-29-23(10-16)26(2,27)28)11-20(15)21-12-22(25(35)32(3)31-21)33-18-6-7-19(33)14-36-13-18;1-16-6-7-18(30-23(34)17-8-9-29-22(12-17)26(4,27)28)13-19(16)20-14-21(24(35)32(5)31-20)33-10-11-36-25(2,3)15-33;1-16-6-7-19(29-24(33)18-8-9-28-23(12-18)26(3,4)27)13-20(16)21-14-22(25(34)31(5)30-21)32-10-11-35-15-17(32)2;1-15-5-6-18(29-23(33)17-7-8-28-22(11-17)25(3,26)27)12-19(15)20-13-21(24(34)31(4)30-20)32-9-10-35-14-16(32)2/h5-6,9-13,20-21H,7-8,14-15H2,1-4H3,(H,31,35);7-10,13-15H,11-12,17H2,1-6H3,(H,31,35);5-6,9-13,19-20H,7-8,14-15H2,1-4H3,(H,30,34);6-9,12-14,18H,10-11,15H2,1-5H3,(H,30,34);4-5,8-12,18-19H,6-7,13-14H2,1-3H3,(H,30,34);6-9,12-14H,10-11,15H2,1-5H3,(H,30,34);6-9,12-14,17H,10-11,15H2,1-5H3,(H,29,33);5-8,11-13,16H,9-10,14H2,1-4H3,(H,29,33)/t;;;18-;;;17-;16-/m...1..11/s1
InChIKeyBOTSRHZCPLGLOM-GIJLNNLJSA-N
XLogP30.38
TPSA786.17 Ų
H-Bond Donors8
H-Bond Acceptors59
Rotatable Bonds40
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003933.48
LogP ≤ 530.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1059

Analyze 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide (CID 157415303) is 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2C3CCC2COC3)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2(C)C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOC[C@H]2C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2C3CCC2COC3)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOC[C@H]2C)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2C3CCC2COC3)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOC(C)(C)C2)c(=O)n(C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOC[C@H]2C)c(=O)n(C)n1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is BOTSRHZCPLGLOM-GIJLNNLJSA-N. The full InChI is InChI=1S/C28H30N6O3.C28H32N6O3.C27H30FN5O3.C27H30N6O3.C26H27F2N5O3.C26H29F2N5O3.C26H30FN5O3.C25H27F2N5O3/c1-17-5-6-19(31-26(35)18-9-10-30-25(11-18)28(2,3)16-29)12-22(17)23-13-24(27(36)33(4)32-23)34-20-7-8-21(34)15-37-14-20;1-18-7-8-20(31-25(35)19-9-10-30-24(13-19)27(2,3)16-29)14-21(18)22-15-23(26(36)33(6)32-22)34-11-12-37-17-28(34,4)5;1-16-5-6-18(30-25(34)17-9-10-29-24(11-17)27(2,3)28)12-21(16)22-13-23(26(35)32(4)31-22)33-19-7-8-20(33)15-36-14-19;1-17-6-7-20(30-25(34)19-8-9-29-24(12-19)27(3,4)16-28)13-21(17)22-14-23(26(35)32(5)31-22)33-10-11-36-15-18(33)2;1-15-4-5-17(30-24(34)16-8-9-29-23(10-16)26(2,27)28)11-20(15)21-12-22(25(35)32(3)31-21)33-18-6-7-19(33)14-36-13-18;1-16-6-7-18(30-23(34)17-8-9-29-22(12-17)26(4,27)28)13-19(16)20-14-21(24(35)32(5)31-20)33-10-11-36-25(2,3)15-33;1-16-6-7-19(29-24(33)18-8-9-28-23(12-18)26(3,4)27)13-20(16)21-14-22(25(34)31(5)30-21)32-10-11-35-15-17(32)2;1-15-5-6-18(29-23(33)17-7-8-28-22(11-17)25(3,26)27)12-19(15)20-13-21(24(34)31(4)30-20)32-9-10-35-14-16(32)2/h5-6,9-13,20-21H,7-8,14-15H2,1-4H3,(H,31,35);7-10,13-15H,11-12,17H2,1-6H3,(H,31,35);5-6,9-13,19-20H,7-8,14-15H2,1-4H3,(H,30,34);6-9,12-14,18H,10-11,15H2,1-5H3,(H,30,34);4-5,8-12,18-19H,6-7,13-14H2,1-3H3,(H,30,34);6-9,12-14H,10-11,15H2,1-5H3,(H,30,34);6-9,12-14,17H,10-11,15H2,1-5H3,(H,29,33);5-8,11-13,16H,9-10,14H2,1-4H3,(H,29,33)/t;;;18-;;;17-;16-/m...1..11/s1.
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 3933.48 g/mol, XLogP of 30.38, 40 rotatable bonds, 8 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[5-(3,3-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(2,2-dimethylmorpholin-4-yl)-1-methyl-6-oxopyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 157415303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).