2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

C24H25FN8O — CID 59576956

IUPAC2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCCc1cn2nc(N3C[C@@H]4C(N(C)c5nc(-c6ccncc6F)cc(=O)n5C)[C@@H]4C3)ccc2n1
InChIInChI=1S/C24H25FN8O/c1-4-14-11-33-20(27-14)5-6-21(29-33)32-12-16-17(13-32)23(16)31(3)24-28-19(9-22(34)30(24)2)15-7-8-26-10-18(15)25/h5-11,16-17,23H,4,12-13H2,1-3H3/t16-,17+,23?
InChIKeyUCPRLXRLHCLTCS-NWMVZANLSA-N
MW460.52 g/mol
LogP2.16
Rot. Bonds5

About 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (PubChem CID 59576956) has the molecular formula C24H25FN8O and a molecular weight of 460.52 g/mol. Its IUPAC name is 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
PubChem CID59576956
Molecular FormulaC24H25FN8O
Molecular Weight460.52 g/mol
Exact Mass460.21
IUPAC Name2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCCc1cn2nc(N3C[C@@H]4C(N(C)c5nc(-c6ccncc6F)cc(=O)n5C)[C@@H]4C3)ccc2n1
InChIInChI=1S/C24H25FN8O/c1-4-14-11-33-20(27-14)5-6-21(29-33)32-12-16-17(13-32)23(16)31(3)24-28-19(9-22(34)30(24)2)15-7-8-26-10-18(15)25/h5-11,16-17,23H,4,12-13H2,1-3H3/t16-,17+,23?
InChIKeyUCPRLXRLHCLTCS-NWMVZANLSA-N
XLogP2.16
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (CID 59576956) is 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is CCc1cn2nc(N3C[C@@H]4C(N(C)c5nc(-c6ccncc6F)cc(=O)n5C)[C@@H]4C3)ccc2n1.
What is the InChIKey of 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The InChIKey is UCPRLXRLHCLTCS-NWMVZANLSA-N. The full InChI is InChI=1S/C24H25FN8O/c1-4-14-11-33-20(27-14)5-6-21(29-33)32-12-16-17(13-32)23(16)31(3)24-28-19(9-22(34)30(24)2)15-7-8-26-10-18(15)25/h5-11,16-17,23H,4,12-13H2,1-3H3/t16-,17+,23?.
What are the key properties of 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one has a molecular weight of 460.52 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 59576956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).