4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine

C24H27N7O — CID 71148109

IUPAC4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine
SMILESCC(c1ccc2ncccc2c1)c1nnc2ccc(N3CC[C@@H](N4CCOCC4)C3)nn12
InChIInChI=1S/C24H27N7O/c1-17(18-4-5-21-19(15-18)3-2-9-25-21)24-27-26-22-6-7-23(28-31(22)24)30-10-8-20(16-30)29-11-13-32-14-12-29/h2-7,9,15,17,20H,8,10-14,16H2,1H3/t17?,20-/m1/s1
InChIKeyHPPYMCIQHSMECH-UUSAFJCLSA-N
MW429.53 g/mol
LogP2.74
Rot. Bonds4

About 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine

4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine (PubChem CID 71148109) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine
PubChem CID71148109
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine
SMILESCC(c1ccc2ncccc2c1)c1nnc2ccc(N3CC[C@@H](N4CCOCC4)C3)nn12
InChIInChI=1S/C24H27N7O/c1-17(18-4-5-21-19(15-18)3-2-9-25-21)24-27-26-22-6-7-23(28-31(22)24)30-10-8-20(16-30)29-11-13-32-14-12-29/h2-7,9,15,17,20H,8,10-14,16H2,1H3/t17?,20-/m1/s1
InChIKeyHPPYMCIQHSMECH-UUSAFJCLSA-N
XLogP2.74
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine with MolForge

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Related Compounds

6-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
CID 24967301
6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
CID 141206075
6-[(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;ethanimine
CID 143585984
N-(azetidin-3-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71148156
4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride
CID 24884478
4-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]morpholine
CID 172905301
4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133484407
4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine
CID 56899471
[2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 63171090
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)morpholine
CID 171690270
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
CID 172900398

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine (CID 71148109) is 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine is CC(c1ccc2ncccc2c1)c1nnc2ccc(N3CC[C@@H](N4CCOCC4)C3)nn12.
What is the InChIKey of 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine?
The InChIKey is HPPYMCIQHSMECH-UUSAFJCLSA-N. The full InChI is InChI=1S/C24H27N7O/c1-17(18-4-5-21-19(15-18)3-2-9-25-21)24-27-26-22-6-7-23(28-31(22)24)30-10-8-20(16-30)29-11-13-32-14-12-29/h2-7,9,15,17,20H,8,10-14,16H2,1H3/t17?,20-/m1/s1.
What are the key properties of 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine?
4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine has a molecular weight of 429.53 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 71148109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).