3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide

C16H18N6OS — CID 127974969

IUPAC3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cscc1NC(=O)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C16H18N6OS/c1-11-9-24-10-13(11)19-16(23)21-6-4-12(8-21)18-14-2-3-15-17-5-7-22(15)20-14/h2-3,5,7,9-10,12H,4,6,8H2,1H3,(H,18,20)(H,19,23)
InChIKeyWCKDAFJALSVZJI-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.82
Rot. Bonds3

About 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide

3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide (PubChem CID 127974969) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide
PubChem CID127974969
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cscc1NC(=O)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C16H18N6OS/c1-11-9-24-10-13(11)19-16(23)21-6-4-12(8-21)18-14-2-3-15-17-5-7-22(15)20-14/h2-3,5,7,9-10,12H,4,6,8H2,1H3,(H,18,20)(H,19,23)
InChIKeyWCKDAFJALSVZJI-UHFFFAOYSA-N
XLogP2.82
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[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
4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 154744597
(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
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
2,3-dihydro-1-benzofuran-7-yl-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 136565252
[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-thiomorpholin-4-ylmethanone
CID 126820659
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide (CID 127974969) is 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide is Cc1cscc1NC(=O)N1CCC(Nc2ccc3nccn3n2)C1.
What is the InChIKey of 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is WCKDAFJALSVZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-9-24-10-13(11)19-16(23)21-6-4-12(8-21)18-14-2-3-15-17-5-7-22(15)20-14/h2-3,5,7,9-10,12H,4,6,8H2,1H3,(H,18,20)(H,19,23).
What are the key properties of 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide?
3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127974969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).