1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C84H76FN35O10S3 — CID 158308207

About 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 158308207) has the molecular formula C84H76FN35O10S3 and a molecular weight of 1850.97 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 158308207
• Molecular Formula: C84H76FN35O10S3
• Molecular Weight: 1850.97 g/mol
• Exact Mass: 1849.57
• IUPAC Name: 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: CCNC(=O)Nc1cn2nc(CN3N=NC4C=CC(c5cccc(=O)[nH]5)=CC43)ccc2n1.O=C(NCC(O)CO)Nc1cn2nc(Sc3nnc4ccc(-c5cccc(F)c5)cn34)ccc2n1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5c[nH]c(=O)[nH]5)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5cnn(CC(O)CO)c5)cn34)ccc2n1)C1CC1
• InChI: InChI=1S/C22H19FN8O3S.C22H21N9O3S.C21H21N9O2.C19H15N9O2S/c23-15-3-1-2-13(8-15)14-4-5-19-27-28-22(30(19)10-14)35-20-7-6-18-25-17(11-31(18)29-20)26-21(34)24-9-16(33)12-32;32-12-16(33)10-29-8-15(7-23-29)14-3-4-19-26-27-22(30(19)9-14)35-20-6-5-18-24-17(11-31(18)28-20)25-21(34)13-1-2-13;1-2-22-21(32)25-18-12-30-19(24-18)9-7-14(27-30)11-29-17-10-13(6-8-16(17)26-28-29)15-4-3-5-20(31)23-15;29-17(10-1-2-10)23-13-9-28-14(22-13)5-6-16(26-28)31-19-25-24-15-4-3-11(8-27(15)19)12-7-20-18(30)21-12/h1-8,10-11,16,32-33H,9,12H2,(H2,24,26,34);3-9,11,13,16,32-33H,1-2,10,12H2,(H,25,34);3-10,12,16-17H,2,11H2,1H3,(H,23,31)(H2,22,25,32);3-10H,1-2H2,(H,23,29)(H2,20,21,30)
• InChIKey: GNIVYTSQPQAZQI-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 560.00 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1850.97
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 158308207) is 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-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 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CCNC(=O)Nc1cn2nc(CN3N=NC4C=CC(c5cccc(=O)[nH]5)=CC43)ccc2n1.O=C(NCC(O)CO)Nc1cn2nc(Sc3nnc4ccc(-c5cccc(F)c5)cn34)ccc2n1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5c[nH]c(=O)[nH]5)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5cnn(CC(O)CO)c5)cn34)ccc2n1)C1CC1.

What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is GNIVYTSQPQAZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O3S.C22H21N9O3S.C21H21N9O2.C19H15N9O2S/c23-15-3-1-2-13(8-15)14-4-5-19-27-28-22(30(19)10-14)35-20-7-6-18-25-17(11-31(18)29-20)26-21(34)24-9-16(33)12-32;32-12-16(33)10-29-8-15(7-23-29)14-3-4-19-26-27-22(30(19)9-14)35-20-6-5-18-24-17(11-31(18)28-20)25-21(34)13-1-2-13;1-2-22-21(32)25-18-12-30-19(24-18)9-7-14(27-30)11-29-17-10-13(6-8-16(17)26-28-29)15-4-3-5-20(31)23-15;29-17(10-1-2-10)23-13-9-28-14(22-13)5-6-16(26-28)31-19-25-24-15-4-3-11(8-27(15)19)12-7-20-18(30)21-12/h1-8,10-11,16,32-33H,9,12H2,(H2,24,26,34);3-9,11,13,16,32-33H,1-2,10,12H2,(H,25,34);3-10,12,16-17H,2,11H2,1H3,(H,23,31)(H2,22,25,32);3-10H,1-2H2,(H,23,29)(H2,20,21,30).

What are the key properties of 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-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 1850.97 g/mol, XLogP of 7.78, 25 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydroxypropyl)-3-[6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;1-ethyl-3-[6-[[6-(6-oxo-1H-pyridin-2-yl)-3a,7a-dihydrobenzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]urea;N-[6-[[6-(2-oxo-1,3-dihydroimidazol-4-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 158308207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).