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

C26H31Br2ClN8O2 — CID 158386093

IUPAC6-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
SMILESC[C@@H](N)C1CC1.C[C@@H](Nc1c(C(N)=O)cnn2cc(Br)cc12)C1CC1.NC(=O)c1cnn2cc(Br)cc2c1Cl
InChIInChI=1S/C13H15BrN4O.C8H5BrClN3O.C5H11N/c1-7(8-2-3-8)17-12-10(13(15)19)5-16-18-6-9(14)4-11(12)18;9-4-1-6-7(10)5(8(11)14)2-12-13(6)3-4;1-4(6)5-2-3-5/h4-8,17H,2-3H2,1H3,(H2,15,19);1-3H,(H2,11,14);4-5H,2-3,6H2,1H3/t7-;;4-/m1.1/s1
InChIKeyGWJUYYJAPHCNRH-QEYFKINJSA-N
MW682.85 g/mol
LogP5.00
Rot. Bonds6

About 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

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 (PubChem CID 158386093) has the molecular formula C26H31Br2ClN8O2 and a molecular weight of 682.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID158386093
Molecular FormulaC26H31Br2ClN8O2
Molecular Weight682.85 g/mol
Exact Mass680.06
IUPAC Name6-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
SMILESC[C@@H](N)C1CC1.C[C@@H](Nc1c(C(N)=O)cnn2cc(Br)cc12)C1CC1.NC(=O)c1cnn2cc(Br)cc2c1Cl
InChIInChI=1S/C13H15BrN4O.C8H5BrClN3O.C5H11N/c1-7(8-2-3-8)17-12-10(13(15)19)5-16-18-6-9(14)4-11(12)18;9-4-1-6-7(10)5(8(11)14)2-12-13(6)3-4;1-4(6)5-2-3-5/h4-8,17H,2-3H2,1H3,(H2,15,19);1-3H,(H2,11,14);4-5H,2-3,6H2,1H3/t7-;;4-/m1.1/s1
InChIKeyGWJUYYJAPHCNRH-QEYFKINJSA-N
XLogP5.00
TPSA158.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.85
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

6-bromo-4-[[(1R)-1-cyclopropylethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-6-(3-ethenylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide;(3-ethenylphenyl)boronic acid
CID 158616910
6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487439
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487511
4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 130183740
[2-[[3-[3-carbamoyl-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazin-6-yl]phenyl]methylamino]-2-oxoethyl] acetate
CID 77487448
4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487566
6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463709
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
4-[[(2R)-3-fluoro-3-methylbutan-2-yl]amino]-6-[(2,2,2-trifluoroacetyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 88948224
6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914624
6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487424

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](N)C1CC1.C[C@@H](Nc1c(C(N)=O)cnn2cc(Br)cc12)C1CC1.NC(=O)c1cnn2cc(Br)cc2c1Cl.
What is the InChIKey of 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?
The InChIKey is GWJUYYJAPHCNRH-QEYFKINJSA-N. The full InChI is InChI=1S/C13H15BrN4O.C8H5BrClN3O.C5H11N/c1-7(8-2-3-8)17-12-10(13(15)19)5-16-18-6-9(14)4-11(12)18;9-4-1-6-7(10)5(8(11)14)2-12-13(6)3-4;1-4(6)5-2-3-5/h4-8,17H,2-3H2,1H3,(H2,15,19);1-3H,(H2,11,14);4-5H,2-3,6H2,1H3/t7-;;4-/m1.1/s1.
What are the key properties of 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?
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 has a molecular weight of 682.85 g/mol, XLogP of 5.00, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158386093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).