6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C17H17FN6O — CID 176629502

IUPAC6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2ccccc2)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12
InChIInChI=1S/C17H17FN6O/c1-19-13-8-15(21-10-5-3-2-4-6-10)23-24-14(9-20-16(13)24)17(25)22-12-7-11(12)18/h2-6,8-9,11-12,19H,7H2,1H3,(H,21,23)(H,22,25)/t11-,12+/m0/s1
InChIKeyVWUMWJKLJZGLET-NWDGAFQWSA-N
MW340.36 g/mol
LogP2.35
Rot. Bonds5

About 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176629502) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID176629502
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2ccccc2)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12
InChIInChI=1S/C17H17FN6O/c1-19-13-8-15(21-10-5-3-2-4-6-10)23-24-14(9-20-16(13)24)17(25)22-12-7-11(12)18/h2-6,8-9,11-12,19H,7H2,1H3,(H,21,23)(H,22,25)/t11-,12+/m0/s1
InChIKeyVWUMWJKLJZGLET-NWDGAFQWSA-N
XLogP2.35
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.35
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

N-[(1R,2S)-2-fluorocyclopropyl]-6-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155514076
6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 122615173
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
N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 162764665
N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417195
N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605282
N-[(1R,2S)-2-fluorocyclopropyl]-6-[[2-(oxomethylidene)-1-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176525045
6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 68762286
N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417211
4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
CID 134417201
8-(methylamino)-N-[(3R)-1-methyl-2-(oxomethylidene)pyrrolidin-3-yl]-6-(2-methylsulfonylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 162733029
N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605307

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176629502) is 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2ccccc2)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12.
What is the InChIKey of 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VWUMWJKLJZGLET-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-19-13-8-15(21-10-5-3-2-4-6-10)23-24-14(9-20-16(13)24)17(25)22-12-7-11(12)18/h2-6,8-9,11-12,19H,7H2,1H3,(H,21,23)(H,22,25)/t11-,12+/m0/s1.
What are the key properties of 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176629502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).