5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

C26H23N7O — CID 86582610

IUPAC5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESNc1ccc(-c2c(/C=C/c3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C26H23N7O/c27-24-10-6-19(17-28-24)25-22(9-8-20-7-5-18-3-1-2-4-21(18)30-20)31-26-23(11-12-29-33(25)26)32-13-15-34-16-14-32/h1-12,17H,13-16H2,(H2,27,28)/b9-8+
InChIKeyRTRSYPWGOWQDFI-CMDGGOBGSA-N
MW449.52 g/mol
LogP3.93
Rot. Bonds4

About 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (PubChem CID 86582610) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
PubChem CID86582610
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC Name5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESNc1ccc(-c2c(/C=C/c3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C26H23N7O/c27-24-10-6-19(17-28-24)25-22(9-8-20-7-5-18-3-1-2-4-21(18)30-20)31-26-23(11-12-29-33(25)26)32-13-15-34-16-14-32/h1-12,17H,13-16H2,(H2,27,28)/b9-8+
InChIKeyRTRSYPWGOWQDFI-CMDGGOBGSA-N
XLogP3.93
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The IUPAC name of 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (CID 86582610) is 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is Nc1ccc(-c2c(/C=C/c3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1.
What is the InChIKey of 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The InChIKey is RTRSYPWGOWQDFI-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H23N7O/c27-24-10-6-19(17-28-24)25-22(9-8-20-7-5-18-3-1-2-4-21(18)30-20)31-26-23(11-12-29-33(25)26)32-13-15-34-16-14-32/h1-12,17H,13-16H2,(H2,27,28)/b9-8+.
What are the key properties of 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine has a molecular weight of 449.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 86582610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).