N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane

C83H89BBrN27O11S3Si2 — CID 162173382

IUPACN-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane
SMILESCCC.CCO.O=C(Nc1cn2nc(Sc3nnc4ccc(Br)cn34)ccc2n1)C1CC1.[C-]#[N+]c1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c[nH]c1=O.[C-]#[N+]c1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cnc1OCOCC[Si](C)(C)C.[C-]#[N+]c1cc(B(O)O)cnc1OCOCC[Si](C)(C)C
InChIInChI=1S/C28H29N9O3SSi.C22H15N9O2S.C16H12BrN7OS.C12H19BN2O4Si.C3H8.C2H6O/c1-29-21-13-20(14-30-27(21)40-17-39-11-12-42(2,3)4)19-7-8-24-33-34-28(36(24)15-19)41-25-10-9-23-31-22(16-37(23)35-25)32-26(38)18-5-6-18;1-23-15-8-14(9-24-21(15)33)13-4-5-18-27-28-22(30(18)10-13)34-19-7-6-17-25-16(11-31(17)29-19)26-20(32)12-2-3-12;17-10-3-4-13-20-21-16(23(13)7-10)26-14-6-5-12-18-11(8-24(12)22-14)19-15(25)9-1-2-9;1-14-11-7-10(13(16)17)8-15-12(11)19-9-18-5-6-20(2,3)4;1-3-2;1-2-3/h7-10,13-16,18H,5-6,11-12,17H2,2-4H3,(H,32,38);4-12H,2-3H2,(H,24,33)(H,26,32);3-9H,1-2H2,(H,19,25);7-8,16-17H,5-6,9H2,2-4H3;3H2,1-2H3;3H,2H2,1H3
InChIKeyZOBPQLBSHKQTKP-UHFFFAOYSA-N
MW1883.89 g/mol
LogP14.21
Rot. Bonds27

About N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane

N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane (PubChem CID 162173382) has the molecular formula C83H89BBrN27O11S3Si2 and a molecular weight of 1883.89 g/mol. Its IUPAC name is N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane.

Molecular Properties

Compound NameN-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane
PubChem CID162173382
Molecular FormulaC83H89BBrN27O11S3Si2
Molecular Weight1883.89 g/mol
Exact Mass1881.52
IUPAC NameN-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane
SMILESCCC.CCO.O=C(Nc1cn2nc(Sc3nnc4ccc(Br)cn34)ccc2n1)C1CC1.[C-]#[N+]c1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c[nH]c1=O.[C-]#[N+]c1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cnc1OCOCC[Si](C)(C)C.[C-]#[N+]c1cc(B(O)O)cnc1OCOCC[Si](C)(C)C
InChIInChI=1S/C28H29N9O3SSi.C22H15N9O2S.C16H12BrN7OS.C12H19BN2O4Si.C3H8.C2H6O/c1-29-21-13-20(14-30-27(21)40-17-39-11-12-42(2,3)4)19-7-8-24-33-34-28(36(24)15-19)41-25-10-9-23-31-22(16-37(23)35-25)32-26(38)18-5-6-18;1-23-15-8-14(9-24-21(15)33)13-4-5-18-27-28-22(30(18)10-13)34-19-7-6-17-25-16(11-31(17)29-19)26-20(32)12-2-3-12;17-10-3-4-13-20-21-16(23(13)7-10)26-14-6-5-12-18-11(8-24(12)22-14)19-15(25)9-1-2-9;1-14-11-7-10(13(16)17)8-15-12(11)19-9-18-5-6-20(2,3)4;1-3-2;1-2-3/h7-10,13-16,18H,5-6,11-12,17H2,2-4H3,(H,32,38);4-12H,2-3H2,(H,24,33)(H,26,32);3-9H,1-2H2,(H,19,25);7-8,16-17H,5-6,9H2,2-4H3;3H2,1-2H3;3H,2H2,1H3
InChIKeyZOBPQLBSHKQTKP-UHFFFAOYSA-N
XLogP14.21
TPSA437.77 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001883.89
LogP ≤ 514.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157740149
CID 157740149
N-[6-[[6-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;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;N-[6-[[6-(1-methyl-2-oxo-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-oxo-1H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 159181164
N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 160662472

Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane?
The IUPAC name of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane (CID 162173382) is N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane.
What is the SMILES notation for N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane?
The canonical SMILES for N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane is CCC.CCO.O=C(Nc1cn2nc(Sc3nnc4ccc(Br)cn34)ccc2n1)C1CC1.[C-]#[N+]c1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c[nH]c1=O.[C-]#[N+]c1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cnc1OCOCC[Si](C)(C)C.[C-]#[N+]c1cc(B(O)O)cnc1OCOCC[Si](C)(C)C.
What is the InChIKey of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane?
The InChIKey is ZOBPQLBSHKQTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N9O3SSi.C22H15N9O2S.C16H12BrN7OS.C12H19BN2O4Si.C3H8.C2H6O/c1-29-21-13-20(14-30-27(21)40-17-39-11-12-42(2,3)4)19-7-8-24-33-34-28(36(24)15-19)41-25-10-9-23-31-22(16-37(23)35-25)32-26(38)18-5-6-18;1-23-15-8-14(9-24-21(15)33)13-4-5-18-27-28-22(30(18)10-13)34-19-7-6-17-25-16(11-31(17)29-19)26-20(32)12-2-3-12;17-10-3-4-13-20-21-16(23(13)7-10)26-14-6-5-12-18-11(8-24(12)22-14)19-15(25)9-1-2-9;1-14-11-7-10(13(16)17)8-15-12(11)19-9-18-5-6-20(2,3)4;1-3-2;1-2-3/h7-10,13-16,18H,5-6,11-12,17H2,2-4H3,(H,32,38);4-12H,2-3H2,(H,24,33)(H,26,32);3-9H,1-2H2,(H,19,25);7-8,16-17H,5-6,9H2,2-4H3;3H2,1-2H3;3H,2H2,1H3.
What are the key properties of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane?
N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane has a molecular weight of 1883.89 g/mol, XLogP of 14.21, 27 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;ethanol;N-[6-[[6-(5-isocyano-6-oxo-1H-pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]boronic acid;N-[6-[[6-[5-isocyano-6-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;propane is sourced from PubChem (CID 162173382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).