[3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone

C23H26FN7O — CID 164572710

IUPAC[3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone
SMILESCN(C)c1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cnn1
InChIInChI=1S/C23H26FN7O/c1-28(2)22-8-14(10-25-27-22)15-7-21-20(5-6-26-30(21)11-15)29-12-16-3-4-17(13-29)31(16)23(32)18-9-19(18)24/h5-8,10-11,16-19H,3-4,9,12-13H2,1-2H3/t16?,17?,18-,19-/m1/s1
InChIKeyOHFOSWBJWJDPLV-CSODTCANSA-N
MW435.51 g/mol
LogP2.39
Rot. Bonds4

About [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone

[3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone (PubChem CID 164572710) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone
PubChem CID164572710
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name[3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone
SMILESCN(C)c1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cnn1
InChIInChI=1S/C23H26FN7O/c1-28(2)22-8-14(10-25-27-22)15-7-21-20(5-6-26-30(21)11-15)29-12-16-3-4-17(13-29)31(16)23(32)18-9-19(18)24/h5-8,10-11,16-19H,3-4,9,12-13H2,1-2H3/t16?,17?,18-,19-/m1/s1
InChIKeyOHFOSWBJWJDPLV-CSODTCANSA-N
XLogP2.39
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone?
The IUPAC name of [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone (CID 164572710) is [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone is CN(C)c1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cnn1.
What is the InChIKey of [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone?
The InChIKey is OHFOSWBJWJDPLV-CSODTCANSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-28(2)22-8-14(10-25-27-22)15-7-21-20(5-6-26-30(21)11-15)29-12-16-3-4-17(13-29)31(16)23(32)18-9-19(18)24/h5-8,10-11,16-19H,3-4,9,12-13H2,1-2H3/t16?,17?,18-,19-/m1/s1.
What are the key properties of [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone?
[3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone has a molecular weight of 435.51 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[6-(dimethylamino)pyridazin-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 164572710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).