2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C19H22N6O2 — CID 126936057

About 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126936057) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
• PubChem CID: 126936057
• Molecular Formula: C19H22N6O2
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.18
• IUPAC Name: 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
• SMILES: O=c1cc2c(nn1C1CCC(Nc3ccc4nccn4n3)CC1)CCOC2
• InChI: InChI=1S/C19H22N6O2/c26-19-11-13-12-27-10-7-16(13)22-25(19)15-3-1-14(2-4-15)21-17-5-6-18-20-8-9-24(18)23-17/h5-6,8-9,11,14-15H,1-4,7,10,12H2,(H,21,23)
• InChIKey: JUJWHCMGDNUSHR-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

The IUPAC name of 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126936057) is 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

What is the SMILES notation for 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

The canonical SMILES for 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(Nc3ccc4nccn4n3)CC1)CCOC2.

What is the InChIKey of 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

The InChIKey is JUJWHCMGDNUSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-19-11-13-12-27-10-7-16(13)22-25(19)15-3-1-14(2-4-15)21-17-5-6-18-20-8-9-24(18)23-17/h5-6,8-9,11,14-15H,1-4,7,10,12H2,(H,21,23).

What are the key properties of 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 366.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126936057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).