[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone

C16H22N6OS — CID 126820659

IUPAC[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cn2nc(NC3CCN(C(=O)N4CCSCC4)C3)ccc2n1
InChIInChI=1S/C16H22N6OS/c1-12-10-22-15(17-12)3-2-14(19-22)18-13-4-5-21(11-13)16(23)20-6-8-24-9-7-20/h2-3,10,13H,4-9,11H2,1H3,(H,18,19)
InChIKeyLMZFGDUKGGCRMC-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.69
Rot. Bonds2

About [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone

[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone (PubChem CID 126820659) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone
PubChem CID126820659
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cn2nc(NC3CCN(C(=O)N4CCSCC4)C3)ccc2n1
InChIInChI=1S/C16H22N6OS/c1-12-10-22-15(17-12)3-2-14(19-22)18-13-4-5-21(11-13)16(23)20-6-8-24-9-7-20/h2-3,10,13H,4-9,11H2,1H3,(H,18,19)
InChIKeyLMZFGDUKGGCRMC-UHFFFAOYSA-N
XLogP1.69
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone
CID 155952111
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 127977513
[(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
[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129344896
4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 154744597
2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
CID 137203475
(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
methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate
CID 133420318
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 129344909
ethyl (E)-3-[6-[[(3R)-1-(piperidine-1-carbonyl)pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoate
CID 140500490
(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 127977367

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone (CID 126820659) is [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone is Cc1cn2nc(NC3CCN(C(=O)N4CCSCC4)C3)ccc2n1.
What is the InChIKey of [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is LMZFGDUKGGCRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-12-10-22-15(17-12)3-2-14(19-22)18-13-4-5-21(11-13)16(23)20-6-8-24-9-7-20/h2-3,10,13H,4-9,11H2,1H3,(H,18,19).
What are the key properties of [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone?
[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 346.46 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 126820659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).