3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C73H66N32O9S4 — CID 158154743

IUPAC3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCNC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CNC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.NC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(NCCO)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C19H18N8O3S.C19H18N8O2S.C18H16N8O2S.C17H14N8O2S/c28-8-7-20-17(29)12-3-4-15-23-24-19(26(15)9-12)31-16-6-5-14-21-13(10-27(14)25-16)22-18(30)11-1-2-11;1-2-20-17(28)12-5-6-15-23-24-19(26(15)9-12)30-16-8-7-14-21-13(10-27(14)25-16)22-18(29)11-3-4-11;1-19-16(27)11-4-5-14-22-23-18(25(14)8-11)29-15-7-6-13-20-12(9-26(13)24-15)21-17(28)10-2-3-10;18-15(26)10-3-4-13-21-22-17(24(13)7-10)28-14-6-5-12-19-11(8-25(12)23-14)20-16(27)9-1-2-9/h3-6,9-11,28H,1-2,7-8H2,(H,20,29)(H,22,30);5-11H,2-4H2,1H3,(H,20,28)(H,22,29);4-10H,2-3H2,1H3,(H,19,27)(H,21,28);3-9H,1-2H2,(H2,18,26)(H,20,27)
InChIKeyFVNSLNYEXPCOJV-UHFFFAOYSA-N
MW1663.81 g/mol
LogP6.02
Rot. Bonds23

About 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 158154743) has the molecular formula C73H66N32O9S4 and a molecular weight of 1663.81 g/mol. Its IUPAC name is 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID158154743
Molecular FormulaC73H66N32O9S4
Molecular Weight1663.81 g/mol
Exact Mass1662.46
IUPAC Name3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCNC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CNC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.NC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(NCCO)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C19H18N8O3S.C19H18N8O2S.C18H16N8O2S.C17H14N8O2S/c28-8-7-20-17(29)12-3-4-15-23-24-19(26(15)9-12)31-16-6-5-14-21-13(10-27(14)25-16)22-18(30)11-1-2-11;1-2-20-17(28)12-5-6-15-23-24-19(26(15)9-12)30-16-8-7-14-21-13(10-27(14)25-16)22-18(29)11-3-4-11;1-19-16(27)11-4-5-14-22-23-18(25(14)8-11)29-15-7-6-13-20-12(9-26(13)24-15)21-17(28)10-2-3-10;18-15(26)10-3-4-13-21-22-17(24(13)7-10)28-14-6-5-12-19-11(8-25(12)23-14)20-16(27)9-1-2-9/h3-6,9-11,28H,1-2,7-8H2,(H,20,29)(H,22,30);5-11H,2-4H2,1H3,(H,20,28)(H,22,29);4-10H,2-3H2,1H3,(H,19,27)(H,21,28);3-9H,1-2H2,(H2,18,26)(H,20,27)
InChIKeyFVNSLNYEXPCOJV-UHFFFAOYSA-N
XLogP6.02
TPSA508.54 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001663.81
LogP ≤ 56.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Analyze 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 158154743) is 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCNC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CNC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.NC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(NCCO)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.
What is the InChIKey of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is FVNSLNYEXPCOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O3S.C19H18N8O2S.C18H16N8O2S.C17H14N8O2S/c28-8-7-20-17(29)12-3-4-15-23-24-19(26(15)9-12)31-16-6-5-14-21-13(10-27(14)25-16)22-18(30)11-1-2-11;1-2-20-17(28)12-5-6-15-23-24-19(26(15)9-12)30-16-8-7-14-21-13(10-27(14)25-16)22-18(29)11-3-4-11;1-19-16(27)11-4-5-14-22-23-18(25(14)8-11)29-15-7-6-13-20-12(9-26(13)24-15)21-17(28)10-2-3-10;18-15(26)10-3-4-13-21-22-17(24(13)7-10)28-14-6-5-12-19-11(8-25(12)23-14)20-16(27)9-1-2-9/h3-6,9-11,28H,1-2,7-8H2,(H,20,29)(H,22,30);5-11H,2-4H2,1H3,(H,20,28)(H,22,29);4-10H,2-3H2,1H3,(H,19,27)(H,21,28);3-9H,1-2H2,(H2,18,26)(H,20,27).
What are the key properties of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 1663.81 g/mol, XLogP of 6.02, 23 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 158154743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).