2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide

C13H17BrN6O — CID 123229435

IUPAC2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide
SMILESCCC1CNCC1Nc1c(C(N)=O)cnn2cc(Br)nc12
InChIInChI=1S/C13H17BrN6O/c1-2-7-3-16-5-9(7)18-11-8(12(15)21)4-17-20-6-10(14)19-13(11)20/h4,6-7,9,16,18H,2-3,5H2,1H3,(H2,15,21)
InChIKeyFOGSUFKOURHLFG-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.00
Rot. Bonds4

About 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide

2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 123229435) has the molecular formula C13H17BrN6O and a molecular weight of 353.22 g/mol. Its IUPAC name is 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID123229435
Molecular FormulaC13H17BrN6O
Molecular Weight353.22 g/mol
Exact Mass352.06
IUPAC Name2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide
SMILESCCC1CNCC1Nc1c(C(N)=O)cnn2cc(Br)nc12
InChIInChI=1S/C13H17BrN6O/c1-2-7-3-16-5-9(7)18-11-8(12(15)21)4-17-20-6-10(14)19-13(11)20/h4,6-7,9,16,18H,2-3,5H2,1H3,(H2,15,21)
InChIKeyFOGSUFKOURHLFG-UHFFFAOYSA-N
XLogP1.00
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-3-yl]amino]imidazo[1,2-b]pyridazine-7-carboxamide;2-bromo-8-[[(3S,4S)-4-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-3-yl]amino]imidazo[1,2-b]pyridazine-7-carboxamide
CID 160921544
benzyl (3S,4S)-3-[(2-bromo-7-carbamoylimidazo[1,2-b]pyridazin-8-yl)amino]-4-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-1-carboxylate;2-bromo-8-[[(3S,4S)-4-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-3-yl]amino]imidazo[1,2-b]pyridazine-7-carboxamide
CID 158908925
4-[(4-ethylpyrrolidin-3-yl)amino]-6-(3-methyl-1,2-oxazol-5-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463814
4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463827
8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253713
8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 123519676
8-[(2-methylcyclohexyl)amino]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide
CID 67965583
8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253698
6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463709
4-[[(3R,4R)-3-ethyl-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]amino]-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937367
3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 63842384
6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914486

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide (CID 123229435) is 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide is CCC1CNCC1Nc1c(C(N)=O)cnn2cc(Br)nc12.
What is the InChIKey of 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is FOGSUFKOURHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN6O/c1-2-7-3-16-5-9(7)18-11-8(12(15)21)4-17-20-6-10(14)19-13(11)20/h4,6-7,9,16,18H,2-3,5H2,1H3,(H2,15,21).
What are the key properties of 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide?
2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 123229435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).