N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C83H74N36O6S4 — CID 161371856

IUPACN-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.CNc1ncc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.O=C(Nc1cn2nc(Sc3nnc4ccc(N5CCCC5=O)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(N5CCNC5=O)cn34)ccc2n1)C1CC1
InChIInChI=1S/C23H21N9OS.C21H18N10OS.C20H18N8O2S.C19H17N9O2S/c1-30(2)18-7-5-15(11-24-18)16-6-8-20-27-28-23(31(20)12-16)34-21-10-9-19-25-17(13-32(19)29-21)26-22(33)14-3-4-14;1-22-20-23-8-14(9-24-20)13-4-5-17-27-28-21(30(17)10-13)33-18-7-6-16-25-15(11-31(16)29-18)26-19(32)12-2-3-12;29-18-2-1-9-26(18)13-5-6-16-23-24-20(27(16)10-13)31-17-8-7-15-21-14(11-28(15)25-17)22-19(30)12-3-4-12;29-17(11-1-2-11)22-13-10-28-14(21-13)5-6-16(25-28)31-19-24-23-15-4-3-12(9-27(15)19)26-8-7-20-18(26)30/h5-14H,3-4H2,1-2H3,(H,26,33);4-12H,2-3H2,1H3,(H,26,32)(H,22,23,24);5-8,10-12H,1-4,9H2,(H,22,30);3-6,9-11H,1-2,7-8H2,(H,20,30)(H,22,29)
InChIKeyVQOHNQMGJFMBAN-UHFFFAOYSA-N
MW1800.02 g/mol
LogP10.37
Rot. Bonds22

About N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 161371856) has the molecular formula C83H74N36O6S4 and a molecular weight of 1800.02 g/mol. Its IUPAC name is N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID161371856
Molecular FormulaC83H74N36O6S4
Molecular Weight1800.02 g/mol
Exact Mass1798.55
IUPAC NameN-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.CNc1ncc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.O=C(Nc1cn2nc(Sc3nnc4ccc(N5CCCC5=O)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(N5CCNC5=O)cn34)ccc2n1)C1CC1
InChIInChI=1S/C23H21N9OS.C21H18N10OS.C20H18N8O2S.C19H17N9O2S/c1-30(2)18-7-5-15(11-24-18)16-6-8-20-27-28-23(31(20)12-16)34-21-10-9-19-25-17(13-32(19)29-21)26-22(33)14-3-4-14;1-22-20-23-8-14(9-24-20)13-4-5-17-27-28-21(30(17)10-13)33-18-7-6-16-25-15(11-31(16)29-18)26-19(32)12-2-3-12;29-18-2-1-9-26(18)13-5-6-16-23-24-20(27(16)10-13)31-17-8-7-15-21-14(11-28(15)25-17)22-19(30)12-3-4-12;29-17(11-1-2-11)22-13-10-28-14(21-13)5-6-16(25-28)31-19-24-23-15-4-3-12(9-27(15)19)26-8-7-20-18(26)30/h5-14H,3-4H2,1-2H3,(H,26,33);4-12H,2-3H2,1H3,(H,26,32)(H,22,23,24);5-8,10-12H,1-4,9H2,(H,22,30);3-6,9-11H,1-2,7-8H2,(H,20,30)(H,22,29)
InChIKeyVQOHNQMGJFMBAN-UHFFFAOYSA-N
XLogP10.37
TPSA464.51 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds22
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001800.02
LogP ≤ 510.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[5-(2-methoxyethyl)-1-methyl-1,2,4-triazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 158218051
2-[4-[7-(cyclopropylamino)-6-methyl-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-6-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-6-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 161117812
4-amino-2-[3-(cyclopentylmethyl)imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[3-[(2,4,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;2-[5-fluoro-1-[(4-fluoro-3-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-5-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 161596574
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 161944053
(4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 162188107
N-(6-(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
CID 44625647
N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233054
N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233067
N-[6-[[6-(1,2-dimethylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233087
N-[6-[[6-[6-(methylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233104
N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233233
N-[6-[[6-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233253

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 161371856) is N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CN(C)c1ccc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.CNc1ncc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.O=C(Nc1cn2nc(Sc3nnc4ccc(N5CCCC5=O)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(N5CCNC5=O)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is VQOHNQMGJFMBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9OS.C21H18N10OS.C20H18N8O2S.C19H17N9O2S/c1-30(2)18-7-5-15(11-24-18)16-6-8-20-27-28-23(31(20)12-16)34-21-10-9-19-25-17(13-32(19)29-21)26-22(33)14-3-4-14;1-22-20-23-8-14(9-24-20)13-4-5-17-27-28-21(30(17)10-13)33-18-7-6-16-25-15(11-31(16)29-18)26-19(32)12-2-3-12;29-18-2-1-9-26(18)13-5-6-16-23-24-20(27(16)10-13)31-17-8-7-15-21-14(11-28(15)25-17)22-19(30)12-3-4-12;29-17(11-1-2-11)22-13-10-28-14(21-13)5-6-16(25-28)31-19-24-23-15-4-3-12(9-27(15)19)26-8-7-20-18(26)30/h5-14H,3-4H2,1-2H3,(H,26,33);4-12H,2-3H2,1H3,(H,26,32)(H,22,23,24);5-8,10-12H,1-4,9H2,(H,22,30);3-6,9-11H,1-2,7-8H2,(H,20,30)(H,22,29).
What are the key properties of N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 1800.02 g/mol, XLogP of 10.37, 22 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-[6-(dimethylamino)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[2-(methylamino)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxoimidazolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 161371856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).