4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide

C16H18N8O2S — CID 134417201

IUPAC4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
SMILESCNC(=O)c1nscc1Nc1cc(NC)c2ncc(C(=O)NC3CC3)n2n1
InChIInChI=1S/C16H18N8O2S/c1-17-9-5-12(21-10-7-27-23-13(10)16(26)18-2)22-24-11(6-19-14(9)24)15(25)20-8-3-4-8/h5-8,17H,3-4H2,1-2H3,(H,18,26)(H,20,25)(H,21,22)
InChIKeyYAPDJDXHBFECFX-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.22
Rot. Bonds6

About 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide

4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide (PubChem CID 134417201) has the molecular formula C16H18N8O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
PubChem CID134417201
Molecular FormulaC16H18N8O2S
Molecular Weight386.44 g/mol
Exact Mass386.13
IUPAC Name4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
SMILESCNC(=O)c1nscc1Nc1cc(NC)c2ncc(C(=O)NC3CC3)n2n1
InChIInChI=1S/C16H18N8O2S/c1-17-9-5-12(21-10-7-27-23-13(10)16(26)18-2)22-24-11(6-19-14(9)24)15(25)20-8-3-4-8/h5-8,17H,3-4H2,1-2H3,(H,18,26)(H,20,25)(H,21,22)
InChIKeyYAPDJDXHBFECFX-UHFFFAOYSA-N
XLogP1.22
TPSA125.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417211
N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417195
N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 162764665
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
CID 137449963
N-cyclopropyl-8-(methylamino)-6-[[1-(6-methylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 155516134
4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-ethylpyrazole-3-carboxylic acid;N-cyclopropyl-6-[[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 158002417
methyl 6-[3-[[3-(cyclobutylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-oxo-1-pyridinyl]pyridine-3-carboxylate
CID 176629530
CID 162764663
CID 162764663
N-cyclopropyl-6-[[2,5-dimethyl-3-(phenylcarbamoyl)-1,5-dihydropyrazol-4-yl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 153023042
5-[[3-carbamoyl-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-4-carboxamide
CID 166879593
6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176629502

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide (CID 134417201) is 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide is CNC(=O)c1nscc1Nc1cc(NC)c2ncc(C(=O)NC3CC3)n2n1.
What is the InChIKey of 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is YAPDJDXHBFECFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2S/c1-17-9-5-12(21-10-7-27-23-13(10)16(26)18-2)22-24-11(6-19-14(9)24)15(25)20-8-3-4-8/h5-8,17H,3-4H2,1-2H3,(H,18,26)(H,20,25)(H,21,22).
What are the key properties of 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide?
4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 134417201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).