2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C160H172F12N34O19 — CID 161054853

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCOc1nnc(-c2cc(NC(=O)c3ccc(CO)c(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOC(C2=NC=CC2)C1.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOC[C@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOC[C@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1N1CCOC[C@H]1C
InChIInChI=1S/C28H27F3N6O3.C28H32N6O3.C27H30F3N5O3.C27H31N7O3.C25H26F3N5O4.C25H26F3N5O3/c1-3-39-27-24(37-10-11-40-25(16-37)22-8-5-9-32-22)14-23(35-36-27)21-13-20(15-33-17(21)2)34-26(38)18-6-4-7-19(12-18)28(29,30)31;1-6-37-27-24(34-11-12-36-16-19(34)3)15-23(32-33-27)22-14-21(8-7-18(22)2)31-26(35)20-9-10-30-25(13-20)28(4,5)17-29;1-4-6-18-7-8-19(13-22(18)27(28,29)30)25(36)32-20-14-21(17(3)31-16-20)23-15-24(26(34-33-23)38-5-2)35-9-11-37-12-10-35;1-6-37-26-23(34-9-10-36-15-17(34)2)13-22(32-33-26)21-12-20(14-30-18(21)3)31-25(35)19-7-8-29-24(11-19)27(4,5)16-28;1-3-37-24-22(33-6-8-36-9-7-33)12-21(31-32-24)19-11-18(13-29-15(19)2)30-23(35)16-4-5-17(14-34)20(10-16)25(26,27)28;1-4-36-24-22(33-8-9-35-14-15(33)2)12-21(31-32-24)20-11-19(13-29-16(20)3)30-23(34)17-6-5-7-18(10-17)25(26,27)28/h4-7,9,12-15,25H,3,8,10-11,16H2,1-2H3,(H,34,38);7-10,13-15,19H,6,11-12,16H2,1-5H3,(H,31,35);7-8,13-16H,4-6,9-12H2,1-3H3,(H,32,36);7-8,11-14,17H,6,9-10,15H2,1-5H3,(H,31,35);4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,30,35);5-7,10-13,15H,4,8-9,14H2,1-3H3,(H,30,34)/t;19-;;17-;;15-/m.1.1.1/s1
InChIKeyUCPNDIVGIUMNFT-ZQZXLQILSA-N
MW3103.33 g/mol
LogP27.42
Rot. Bonds42

About 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 161054853) has the molecular formula C160H172F12N34O19 and a molecular weight of 3103.33 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID161054853
Molecular FormulaC160H172F12N34O19
Molecular Weight3103.33 g/mol
Exact Mass3101.33
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCOc1nnc(-c2cc(NC(=O)c3ccc(CO)c(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOC(C2=NC=CC2)C1.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOC[C@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOC[C@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1N1CCOC[C@H]1C
InChIInChI=1S/C28H27F3N6O3.C28H32N6O3.C27H30F3N5O3.C27H31N7O3.C25H26F3N5O4.C25H26F3N5O3/c1-3-39-27-24(37-10-11-40-25(16-37)22-8-5-9-32-22)14-23(35-36-27)21-13-20(15-33-17(21)2)34-26(38)18-6-4-7-19(12-18)28(29,30)31;1-6-37-27-24(34-11-12-36-16-19(34)3)15-23(32-33-27)22-14-21(8-7-18(22)2)31-26(35)20-9-10-30-25(13-20)28(4,5)17-29;1-4-6-18-7-8-19(13-22(18)27(28,29)30)25(36)32-20-14-21(17(3)31-16-20)23-15-24(26(34-33-23)38-5-2)35-9-11-37-12-10-35;1-6-37-26-23(34-9-10-36-15-17(34)2)13-22(32-33-26)21-12-20(14-30-18(21)3)31-25(35)19-7-8-29-24(11-19)27(4,5)16-28;1-3-37-24-22(33-6-8-36-9-7-33)12-21(31-32-24)19-11-18(13-29-15(19)2)30-23(35)16-4-5-17(14-34)20(10-16)25(26,27)28;1-4-36-24-22(33-8-9-35-14-15(33)2)12-21(31-32-24)20-11-19(13-29-16(20)3)30-23(34)17-6-5-7-18(10-17)25(26,27)28/h4-7,9,12-15,25H,3,8,10-11,16H2,1-2H3,(H,34,38);7-10,13-15,19H,6,11-12,16H2,1-5H3,(H,31,35);7-8,13-16H,4-6,9-12H2,1-3H3,(H,32,36);7-8,11-14,17H,6,9-10,15H2,1-5H3,(H,31,35);4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,30,35);5-7,10-13,15H,4,8-9,14H2,1-3H3,(H,30,34)/t;19-;;17-;;15-/m.1.1.1/s1
InChIKeyUCPNDIVGIUMNFT-ZQZXLQILSA-N
XLogP27.42
TPSA629.88 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds42
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003103.33
LogP ≤ 527.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-(1,1-difluoroethyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]pyridine-4-carboxamide
CID 90460511
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]pyridine-4-carboxamide
CID 90461485
2-(1,1-difluoropropyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 117609650
N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-yl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide
CID 90456859
2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90456386
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461217
2-(2-cyanopropan-2-yl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461248
US10245267, Example 596
CID 90463380
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]pyridine-4-carboxamide
CID 117609820
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461518
2-(1,1-difluoroethyl)-N-[3-[(9S,10R)-9-ethyl-8,12-dioxa-1,5,6-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 129248740
2-(1,1-difluoroethyl)-N-[3-(9-ethyl-8,12-dioxa-1,5,6-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 129271551

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 161054853) is 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCOc1nnc(-c2cc(NC(=O)c3ccc(CO)c(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOC(C2=NC=CC2)C1.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOC[C@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOC[C@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1N1CCOC[C@H]1C.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UCPNDIVGIUMNFT-ZQZXLQILSA-N. The full InChI is InChI=1S/C28H27F3N6O3.C28H32N6O3.C27H30F3N5O3.C27H31N7O3.C25H26F3N5O4.C25H26F3N5O3/c1-3-39-27-24(37-10-11-40-25(16-37)22-8-5-9-32-22)14-23(35-36-27)21-13-20(15-33-17(21)2)34-26(38)18-6-4-7-19(12-18)28(29,30)31;1-6-37-27-24(34-11-12-36-16-19(34)3)15-23(32-33-27)22-14-21(8-7-18(22)2)31-26(35)20-9-10-30-25(13-20)28(4,5)17-29;1-4-6-18-7-8-19(13-22(18)27(28,29)30)25(36)32-20-14-21(17(3)31-16-20)23-15-24(26(34-33-23)38-5-2)35-9-11-37-12-10-35;1-6-37-26-23(34-9-10-36-15-17(34)2)13-22(32-33-26)21-12-20(14-30-18(21)3)31-25(35)19-7-8-29-24(11-19)27(4,5)16-28;1-3-37-24-22(33-6-8-36-9-7-33)12-21(31-32-24)19-11-18(13-29-15(19)2)30-23(35)16-4-5-17(14-34)20(10-16)25(26,27)28;1-4-36-24-22(33-8-9-35-14-15(33)2)12-21(31-32-24)20-11-19(13-29-16(20)3)30-23(34)17-6-5-7-18(10-17)25(26,27)28/h4-7,9,12-15,25H,3,8,10-11,16H2,1-2H3,(H,34,38);7-10,13-15,19H,6,11-12,16H2,1-5H3,(H,31,35);7-8,13-16H,4-6,9-12H2,1-3H3,(H,32,36);7-8,11-14,17H,6,9-10,15H2,1-5H3,(H,31,35);4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,30,35);5-7,10-13,15H,4,8-9,14H2,1-3H3,(H,30,34)/t;19-;;17-;;15-/m.1.1.1/s1.
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 3103.33 g/mol, XLogP of 27.42, 42 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[5-[6-ethoxy-5-[2-(3H-pyrrol-2-yl)morpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161054853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).