N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C21H19FN8O2 — CID 155565275

IUPACN-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C21H19FN8O2/c1-23-14-10-17(28-30-15(11-24-19(14)30)20(31)25-12-7-8-12)26-13-4-3-9-29(21(13)32)18-6-2-5-16(22)27-18/h2-6,9-12,23H,7-8H2,1H3,(H,25,31)(H,26,28)
InChIKeyQXGWTKISSCULND-UHFFFAOYSA-N
MW434.44 g/mol
LogP2.09
Rot. Bonds6

About N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155565275) has the molecular formula C21H19FN8O2 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155565275
Molecular FormulaC21H19FN8O2
Molecular Weight434.44 g/mol
Exact Mass434.16
IUPAC NameN-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C21H19FN8O2/c1-23-14-10-17(28-30-15(11-24-19(14)30)20(31)25-12-7-8-12)26-13-4-3-9-29(21(13)32)18-6-2-5-16(22)27-18/h2-6,9-12,23H,7-8H2,1H3,(H,25,31)(H,26,28)
InChIKeyQXGWTKISSCULND-UHFFFAOYSA-N
XLogP2.09
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 155565275) is N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(C(=O)NC3CC3)cnc12.
What is the InChIKey of N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QXGWTKISSCULND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O2/c1-23-14-10-17(28-30-15(11-24-19(14)30)20(31)25-12-7-8-12)26-13-4-3-9-29(21(13)32)18-6-2-5-16(22)27-18/h2-6,9-12,23H,7-8H2,1H3,(H,25,31)(H,26,28).
What are the key properties of N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[[1-(6-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155565275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).