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

C110H104F2N48O13S4 — CID 158218051

IUPACN-[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
SMILESCOCCN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.COCCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)n[nH]1.COCCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)nn1C.COCCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)no1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5noc(CCO)n5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C26H26F2N10O3.C22H22N10O2S.C21H20N10O2S.C21H19N9O3S.C20H17N9O3S/c1-35(9-10-41-2)23(39)15-36-12-18(11-29-36)17-5-7-22-32-33-25(37(22)13-17)26(27,28)19-6-8-21-30-20(14-38(21)34-19)31-24(40)16-3-4-16;1-30-16(9-10-34-2)25-20(29-30)14-5-6-18-26-27-22(31(18)11-14)35-19-8-7-17-23-15(12-32(17)28-19)24-21(33)13-3-4-13;1-33-9-8-14-23-19(27-25-14)13-4-5-17-26-28-21(30(17)10-13)34-18-7-6-16-22-15(11-31(16)29-18)24-20(32)12-2-3-12;1-32-9-8-17-24-19(28-33-17)13-4-5-16-25-26-21(29(16)10-13)34-18-7-6-15-22-14(11-30(15)27-18)23-20(31)12-2-3-12;30-8-7-16-23-18(27-32-16)12-3-4-15-24-25-20(28(15)9-12)33-17-6-5-14-21-13(10-29(14)26-17)22-19(31)11-1-2-11/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3,(H,31,40);5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,33);4-7,10-12H,2-3,8-9H2,1H3,(H,24,32)(H,23,25,27);4-7,10-12H,2-3,8-9H2,1H3,(H,23,31);3-6,9-11,30H,1-2,7-8H2,(H,22,31)
InChIKeyGCXCQMGHLQRTGT-UHFFFAOYSA-N
MW2472.63 g/mol
LogP11.10
Rot. Bonds41

About 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

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 (PubChem CID 158218051) has the molecular formula C110H104F2N48O13S4 and a molecular weight of 2472.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158218051
Molecular FormulaC110H104F2N48O13S4
Molecular Weight2472.63 g/mol
Exact Mass2470.78
IUPAC NameN-[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
SMILESCOCCN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.COCCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)n[nH]1.COCCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)nn1C.COCCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)no1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5noc(CCO)n5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C26H26F2N10O3.C22H22N10O2S.C21H20N10O2S.C21H19N9O3S.C20H17N9O3S/c1-35(9-10-41-2)23(39)15-36-12-18(11-29-36)17-5-7-22-32-33-25(37(22)13-17)26(27,28)19-6-8-21-30-20(14-38(21)34-19)31-24(40)16-3-4-16;1-30-16(9-10-34-2)25-20(29-30)14-5-6-18-26-27-22(31(18)11-14)35-19-8-7-17-23-15(12-32(17)28-19)24-21(33)13-3-4-13;1-33-9-8-14-23-19(27-25-14)13-4-5-17-26-28-21(30(17)10-13)34-18-7-6-16-22-15(11-31(16)29-18)24-20(32)12-2-3-12;1-32-9-8-17-24-19(28-33-17)13-4-5-16-25-26-21(29(16)10-13)34-18-7-6-15-22-14(11-30(15)27-18)23-20(31)12-2-3-12;30-8-7-16-23-18(27-32-16)12-3-4-15-24-25-20(28(15)9-12)33-17-6-5-14-21-13(10-29(14)26-17)22-19(31)11-1-2-11/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3,(H,31,40);5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,33);4-7,10-12H,2-3,8-9H2,1H3,(H,24,32)(H,23,25,27);4-7,10-12H,2-3,8-9H2,1H3,(H,23,31);3-6,9-11,30H,1-2,7-8H2,(H,22,31)
InChIKeyGCXCQMGHLQRTGT-UHFFFAOYSA-N
XLogP11.10
TPSA692.80 Ų
H-Bond Donors7
H-Bond Acceptors58
Rotatable Bonds41
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002472.63
LogP ≤ 511.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1058

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.COCCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)n[nH]1.COCCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)nn1C.COCCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)no1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5noc(CCO)n5)cn34)ccc2n1)C1CC1.
What is the InChIKey of 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?
The InChIKey is GCXCQMGHLQRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N10O3.C22H22N10O2S.C21H20N10O2S.C21H19N9O3S.C20H17N9O3S/c1-35(9-10-41-2)23(39)15-36-12-18(11-29-36)17-5-7-22-32-33-25(37(22)13-17)26(27,28)19-6-8-21-30-20(14-38(21)34-19)31-24(40)16-3-4-16;1-30-16(9-10-34-2)25-20(29-30)14-5-6-18-26-27-22(31(18)11-14)35-19-8-7-17-23-15(12-32(17)28-19)24-21(33)13-3-4-13;1-33-9-8-14-23-19(27-25-14)13-4-5-17-26-28-21(30(17)10-13)34-18-7-6-16-22-15(11-31(16)29-18)24-20(32)12-2-3-12;1-32-9-8-17-24-19(28-33-17)13-4-5-16-25-26-21(29(16)10-13)34-18-7-6-15-22-14(11-30(15)27-18)23-20(31)12-2-3-12;30-8-7-16-23-18(27-32-16)12-3-4-15-24-25-20(28(15)9-12)33-17-6-5-14-21-13(10-29(14)26-17)22-19(31)11-1-2-11/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3,(H,31,40);5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,33);4-7,10-12H,2-3,8-9H2,1H3,(H,24,32)(H,23,25,27);4-7,10-12H,2-3,8-9H2,1H3,(H,23,31);3-6,9-11,30H,1-2,7-8H2,(H,22,31).
What are the key properties of 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?
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 has a molecular weight of 2472.63 g/mol, XLogP of 11.10, 41 rotatable bonds, 7 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158218051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).