6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C14H17BrN4O2 — CID 77468213

IUPAC6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(O)CCCC1Nc1c(C(N)=O)cnn2cc(Br)cc12
InChIInChI=1S/C14H17BrN4O2/c1-14(21)4-2-3-11(14)18-12-9(13(16)20)6-17-19-7-8(15)5-10(12)19/h5-7,11,18,21H,2-4H2,1H3,(H2,16,20)
InChIKeyPTPUGACKGLNIKI-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.91
Rot. Bonds3

About 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77468213) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77468213
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(O)CCCC1Nc1c(C(N)=O)cnn2cc(Br)cc12
InChIInChI=1S/C14H17BrN4O2/c1-14(21)4-2-3-11(14)18-12-9(13(16)20)6-17-19-7-8(15)5-10(12)19/h5-7,11,18,21H,2-4H2,1H3,(H2,16,20)
InChIKeyPTPUGACKGLNIKI-UHFFFAOYSA-N
XLogP1.91
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
Jak-IN-3
CID 68291755
4-(Cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914031
4-[[(1R,3R)-3-hydroxy-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291322
4-[[(1R,2R)-2-fluoro-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291627
4-[[(1R,3R)-3-amino-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291797
4-[[(1R,3S)-3-amino-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291981
4-[[(1R,2R)-2-cyano-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68292156
4-[[(1R,3S)-3-hydroxy-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68292170
4-[[(1R,2S)-2-cyano-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68292183
4-[[(1S,2R)-2-fluoro-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68292196
4-[[(1R,3R)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117809257

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77468213) is 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(O)CCCC1Nc1c(C(N)=O)cnn2cc(Br)cc12.
What is the InChIKey of 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is PTPUGACKGLNIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-14(21)4-2-3-11(14)18-12-9(13(16)20)6-17-19-7-8(15)5-10(12)19/h5-7,11,18,21H,2-4H2,1H3,(H2,16,20).
What are the key properties of 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77468213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).