6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C13H15BrFN5O — CID 77463709

IUPAC6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(F)CNCC1Nc1c(C(N)=O)cnn2cc(Br)cc12
InChIInChI=1S/C13H15BrFN5O/c1-13(15)6-17-4-10(13)19-11-8(12(16)21)3-18-20-5-7(14)2-9(11)20/h2-3,5,10,17,19H,4,6H2,1H3,(H2,16,21)
InChIKeyITEUHDVYSFPPEV-UHFFFAOYSA-N
MW356.20 g/mol
LogP1.31
Rot. Bonds3

About 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77463709) has the molecular formula C13H15BrFN5O and a molecular weight of 356.20 g/mol. Its IUPAC name is 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77463709
Molecular FormulaC13H15BrFN5O
Molecular Weight356.20 g/mol
Exact Mass355.04
IUPAC Name6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(F)CNCC1Nc1c(C(N)=O)cnn2cc(Br)cc12
InChIInChI=1S/C13H15BrFN5O/c1-13(15)6-17-4-10(13)19-11-8(12(16)21)3-18-20-5-7(14)2-9(11)20/h2-3,5,10,17,19H,4,6H2,1H3,(H2,16,21)
InChIKeyITEUHDVYSFPPEV-UHFFFAOYSA-N
XLogP1.31
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
CID 123862117
CID 123862117
6-(3,4-difluorophenyl)-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468208
4-[[(1R,2R)-2-fluoro-2-methylcyclopentyl]amino]-6-(4-methyl-2-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123491050
tert-butyl (4R,5R)-5-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 122692003
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77467997
6-bromo-4-chloropyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[[(1R)-1-cyclopropylethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;(1R)-1-cyclopropylethanamine
CID 158386093
benzyl (4S)-4-amino-3,3-dimethylpyrrolidine-1-carboxylate;benzyl (4S)-4-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-3,3-dimethylpyrrolidine-1-carboxylate;6-bromo-4-chloropyrrolo[1,2-b]pyridazine-3-carboxamide
CID 158993858
6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123593259
6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468108
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468139
ethyl 3-carbamoyl-4-[[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 122500178

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77463709) is 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(F)CNCC1Nc1c(C(N)=O)cnn2cc(Br)cc12.
What is the InChIKey of 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ITEUHDVYSFPPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN5O/c1-13(15)6-17-4-10(13)19-11-8(12(16)21)3-18-20-5-7(14)2-9(11)20/h2-3,5,10,17,19H,4,6H2,1H3,(H2,16,21).
What are the key properties of 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 356.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77463709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).