2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one

C29H24N8O2 — CID 154081978

IUPAC2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one
SMILESO=c1ncn(-c2ccc(-c3c(C=Cc4ccc5ccccc5n4)nc4c(N5CCOCC5)ccnn34)cc2)[nH]1
InChIInChI=1S/C29H24N8O2/c38-29-30-19-36(34-29)23-10-6-21(7-11-23)27-25(12-9-22-8-5-20-3-1-2-4-24(20)32-22)33-28-26(13-14-31-37(27)28)35-15-17-39-18-16-35/h1-14,19H,15-18H2,(H,34,38)
InChIKeyINYLSLWNPQZRRW-UHFFFAOYSA-N
MW516.57 g/mol
LogP3.83
Rot. Bonds5

About 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one

2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one (PubChem CID 154081978) has the molecular formula C29H24N8O2 and a molecular weight of 516.57 g/mol. Its IUPAC name is 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one
PubChem CID154081978
Molecular FormulaC29H24N8O2
Molecular Weight516.57 g/mol
Exact Mass516.20
IUPAC Name2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one
SMILESO=c1ncn(-c2ccc(-c3c(C=Cc4ccc5ccccc5n4)nc4c(N5CCOCC5)ccnn34)cc2)[nH]1
InChIInChI=1S/C29H24N8O2/c38-29-30-19-36(34-29)23-10-6-21(7-11-23)27-25(12-9-22-8-5-20-3-1-2-4-24(20)32-22)33-28-26(13-14-31-37(27)28)35-15-17-39-18-16-35/h1-14,19H,15-18H2,(H,34,38)
InChIKeyINYLSLWNPQZRRW-UHFFFAOYSA-N
XLogP3.83
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 91844700
tert-butyl 1-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]piperidine-4-carboxylate
CID 123620876
2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one
CID 86346032
methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 123515518
4-[2-[2-(1,3-benzothiazol-2-yl)ethenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 154081968
4-[(E)-2-quinolin-2-ylethenyl]morpholine
CID 965013
4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 155545902
4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123632757
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123392808
4-[3-[6-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]morpholine
CID 58496276
[[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate
CID 123657151
4-[3-[6-(2-ethoxyethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]morpholine
CID 52932522

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one (CID 154081978) is 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one is O=c1ncn(-c2ccc(-c3c(C=Cc4ccc5ccccc5n4)nc4c(N5CCOCC5)ccnn34)cc2)[nH]1.
What is the InChIKey of 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one?
The InChIKey is INYLSLWNPQZRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N8O2/c38-29-30-19-36(34-29)23-10-6-21(7-11-23)27-25(12-9-22-8-5-20-3-1-2-4-24(20)32-22)33-28-26(13-14-31-37(27)28)35-15-17-39-18-16-35/h1-14,19H,15-18H2,(H,34,38).
What are the key properties of 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one?
2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one has a molecular weight of 516.57 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 154081978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).