2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide

C17H23N5O3 — CID 95895496

IUPAC2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C[C@H]1COCCN1C(=O)c1cnc2cccnn12
InChIInChI=1S/C17H23N5O3/c1-12(2)9-19-16(23)8-13-11-25-7-6-21(13)17(24)14-10-18-15-4-3-5-20-22(14)15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyKSATXTMRWRMSOG-ZDUSSCGKSA-N
MW345.40 g/mol
LogP0.73
Rot. Bonds5

About 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide

2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide (PubChem CID 95895496) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide
PubChem CID95895496
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C[C@H]1COCCN1C(=O)c1cnc2cccnn12
InChIInChI=1S/C17H23N5O3/c1-12(2)9-19-16(23)8-13-11-25-7-6-21(13)17(24)14-10-18-15-4-3-5-20-22(14)15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyKSATXTMRWRMSOG-ZDUSSCGKSA-N
XLogP0.73
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide (CID 95895496) is 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)C[C@H]1COCCN1C(=O)c1cnc2cccnn12.
What is the InChIKey of 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is KSATXTMRWRMSOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12(2)9-19-16(23)8-13-11-25-7-6-21(13)17(24)14-10-18-15-4-3-5-20-22(14)15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide?
2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 95895496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).