4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine

C50H55N13O3 — CID 158579048

About 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine

4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 158579048) has the molecular formula C50H55N13O3 and a molecular weight of 886.08 g/mol. Its IUPAC name is 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

• Compound Name: 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
• PubChem CID: 158579048
• Molecular Formula: C50H55N13O3
• Molecular Weight: 886.08 g/mol
• Exact Mass: 885.46
• IUPAC Name: 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
• SMILES: CC1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCOCC4)cc3)nn3ccnc23)n1
• InChI: InChI=1S/C28H33N7O2.C22H22N6O/c1-21-4-3-12-34(21)27-6-2-5-26(31-27)30-25-20-24(32-35-13-11-29-28(25)35)22-7-9-23(10-8-22)37-19-16-33-14-17-36-18-15-33;1-15-4-3-12-27(15)21-6-2-5-20(25-21)24-19-14-18(16-7-9-17(29)10-8-16)26-28-13-11-23-22(19)28/h2,5-11,13,20-21H,3-4,12,14-19H2,1H3,(H,30,31);2,5-11,13-15,29H,3-4,12H2,1H3,(H,24,25)
• InChIKey: HTAGBOTVFMWIDX-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 158.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	886.08
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?

The IUPAC name of 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 158579048) is 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.

What is the SMILES notation for 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?

The canonical SMILES for 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCOCC4)cc3)nn3ccnc23)n1.

What is the InChIKey of 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?

The InChIKey is HTAGBOTVFMWIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2.C22H22N6O/c1-21-4-3-12-34(21)27-6-2-5-26(31-27)30-25-20-24(32-35-13-11-29-28(25)35)22-7-9-23(10-8-22)37-19-16-33-14-17-36-18-15-33;1-15-4-3-12-27(15)21-6-2-5-20(25-21)24-19-14-18(16-7-9-17(29)10-8-16)26-28-13-11-23-22(19)28/h2,5-11,13,20-21H,3-4,12,14-19H2,1H3,(H,30,31);2,5-11,13-15,29H,3-4,12H2,1H3,(H,24,25).

What are the key properties of 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?

4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 886.08 g/mol, XLogP of 8.46, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 158579048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).