[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone

C15H16N6OS — CID 127977513

IUPAC[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCc1nscc1C(=O)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C15H16N6OS/c1-10-12(9-23-19-10)15(22)20-6-4-11(8-20)17-13-2-3-14-16-5-7-21(14)18-13/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,17,18)
InChIKeyCGNDEADFHIBXRX-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.82
Rot. Bonds3

About [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone

[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone (PubChem CID 127977513) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
PubChem CID127977513
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCc1nscc1C(=O)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C15H16N6OS/c1-10-12(9-23-19-10)15(22)20-6-4-11(8-20)17-13-2-3-14-16-5-7-21(14)18-13/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,17,18)
InChIKeyCGNDEADFHIBXRX-UHFFFAOYSA-N
XLogP1.82
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(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
4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 154744597
2,3-dihydro-1-benzofuran-7-yl-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 136565252
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]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone
CID 154740102
(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
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 129344909
(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 127977367
[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone
CID 126820659
[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 129335831

Frequently Asked Questions

What is the IUPAC name of [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The IUPAC name of [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone (CID 127977513) is [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The canonical SMILES for [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone is Cc1nscc1C(=O)N1CCC(Nc2ccc3nccn3n2)C1.
What is the InChIKey of [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The InChIKey is CGNDEADFHIBXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-10-12(9-23-19-10)15(22)20-6-4-11(8-20)17-13-2-3-14-16-5-7-21(14)18-13/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,17,18).
What are the key properties of [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone has a molecular weight of 328.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 127977513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).