N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide

C27H25FN8O3S — CID 143840354

About N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide (PubChem CID 143840354) has the molecular formula C27H25FN8O3S and a molecular weight of 560.62 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide
• PubChem CID: 143840354
• Molecular Formula: C27H25FN8O3S
• Molecular Weight: 560.62 g/mol
• Exact Mass: 560.18
• IUPAC Name: N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide
• SMILES: C=C(Nc1nnc(C2CC2)s1)C1(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(F)c2)CC1
• InChI: InChI=1S/C27H25FN8O3S/c1-14(29-26-34-33-24(40-26)16-4-5-16)27(10-11-27)25(38)30-17-6-7-19(18(28)12-17)39-22-9-8-21-31-20(13-36(21)35-22)32-23(37)15-2-3-15/h6-9,12-13,15-16H,1-5,10-11H2,(H,29,34)(H,30,38)(H,32,37)
• InChIKey: AJUDJOOLBOLTBV-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 135.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.62
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide (CID 143840354) is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide is C=C(Nc1nnc(C2CC2)s1)C1(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(F)c2)CC1.

What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide?

The InChIKey is AJUDJOOLBOLTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN8O3S/c1-14(29-26-34-33-24(40-26)16-4-5-16)27(10-11-27)25(38)30-17-6-7-19(18(28)12-17)39-22-9-8-21-31-20(13-36(21)35-22)32-23(37)15-2-3-15/h6-9,12-13,15-16H,1-5,10-11H2,(H,29,34)(H,30,38)(H,32,37).

What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide?

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide has a molecular weight of 560.62 g/mol, XLogP of 5.08, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-1-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 143840354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).