N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C25H23N9O2S — CID 59233010

About N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233010) has the molecular formula C25H23N9O2S and a molecular weight of 513.59 g/mol. Its IUPAC name is N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 59233010
• Molecular Formula: C25H23N9O2S
• Molecular Weight: 513.59 g/mol
• Exact Mass: 513.17
• IUPAC Name: N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1cn2nc(Sc3nnc4ccc(-c5ccc(N6CCOCC6)nc5)cn34)ccc2n1)C1CC1
• InChI: InChI=1S/C25H23N9O2S/c35-24(16-1-2-16)28-19-15-34-21(27-19)7-8-23(31-34)37-25-30-29-22-6-4-18(14-33(22)25)17-3-5-20(26-13-17)32-9-11-36-12-10-32/h3-8,13-16H,1-2,9-12H2,(H,28,35)
• InChIKey: FGLMJHOXJVYCKV-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 114.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.59
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[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-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233010) is N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[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-[[6-(6-morpholin-4-yl-3-pyridinyl)-[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-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Sc3nnc4ccc(-c5ccc(N6CCOCC6)nc5)cn34)ccc2n1)C1CC1.

What is the InChIKey of N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is FGLMJHOXJVYCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9O2S/c35-24(16-1-2-16)28-19-15-34-21(27-19)7-8-23(31-34)37-25-30-29-22-6-4-18(14-33(22)25)17-3-5-20(26-13-17)32-9-11-36-12-10-32/h3-8,13-16H,1-2,9-12H2,(H,28,35).

What are the key properties of N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 513.59 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).