6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C16H16N6O — CID 140943115

IUPAC6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2c(NC3CC3)cc(Nc3ccccc3)nn12
InChIInChI=1S/C16H16N6O/c17-15(23)13-9-18-16-12(19-11-6-7-11)8-14(21-22(13)16)20-10-4-2-1-3-5-10/h1-5,8-9,11,19H,6-7H2,(H2,17,23)(H,20,21)
InChIKeyQZGWYLPGPJWINC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.15
Rot. Bonds5

About 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 140943115) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID140943115
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2c(NC3CC3)cc(Nc3ccccc3)nn12
InChIInChI=1S/C16H16N6O/c17-15(23)13-9-18-16-12(19-11-6-7-11)8-14(21-22(13)16)20-10-4-2-1-3-5-10/h1-5,8-9,11,19H,6-7H2,(H2,17,23)(H,20,21)
InChIKeyQZGWYLPGPJWINC-UHFFFAOYSA-N
XLogP2.15
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

P505-15
CID 44462758
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449296
6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330913
3-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-Triazol-2-Yl)phenyl]amino}-1,2,4-Triazine-6-Carboxamide
CID 72703033
Tyk2-IN-2
CID 129626433
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-4-ylamino)-1,2,4-triazine-6-carboxamide
CID 72202738
3-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-5-((1R,2S)-2-aminocyclohexylamino)pyrazine-2-carboxamide
CID 86685547
Tyk2-IN-5
CID 91809175
N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[[1-(6-methylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122630882
N-cyclopropyl-5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441447
N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441548

Frequently Asked Questions

What is the IUPAC name of 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 140943115) is 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2c(NC3CC3)cc(Nc3ccccc3)nn12.
What is the InChIKey of 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QZGWYLPGPJWINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-15(23)13-9-18-16-12(19-11-6-7-11)8-14(21-22(13)16)20-10-4-2-1-3-5-10/h1-5,8-9,11,19H,6-7H2,(H2,17,23)(H,20,21).
What are the key properties of 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 140943115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).