4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C17H18N6O2 — CID 154744597

IUPAC4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC(Nc3ccc4nccn4n3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H18N6O2/c1-11-8-12(9-16(24)19-11)17(25)22-6-4-13(10-22)20-14-2-3-15-18-5-7-23(15)21-14/h2-3,5,7-9,13H,4,6,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyMDTNIYSZMLLPRP-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.05
Rot. Bonds3

About 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 154744597) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID154744597
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC(Nc3ccc4nccn4n3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H18N6O2/c1-11-8-12(9-16(24)19-11)17(25)22-6-4-13(10-22)20-14-2-3-15-18-5-7-23(15)21-14/h2-3,5,7-9,13H,4,6,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyMDTNIYSZMLLPRP-UHFFFAOYSA-N
XLogP1.05
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
CID 137203475
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 127977513
[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129344896
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 129344923
3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide
CID 127974969
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone
CID 154740102
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 129344909
(2R)-1-[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 129344930
2,3-dihydro-1-benzofuran-7-yl-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 136565252
(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 127977367
4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129352590
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
CID 126887578

Frequently Asked Questions

What is the IUPAC name of 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 154744597) is 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CCC(Nc3ccc4nccn4n3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is MDTNIYSZMLLPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11-8-12(9-16(24)19-11)17(25)22-6-4-13(10-22)20-14-2-3-15-18-5-7-23(15)21-14/h2-3,5,7-9,13H,4,6,10H2,1H3,(H,19,24)(H,20,21).
What are the key properties of 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 338.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 154744597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).