3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol

C23H24F2N4O2 — CID 137464867

IUPAC3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol
SMILESCN(c1ccc(-c2cc3ccc(OC(F)F)cc3cc2O)nn1)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C23H24F2N4O2/c1-29(17-11-15-3-4-16(12-17)26-15)22-7-6-20(27-28-22)19-9-13-2-5-18(31-23(24)25)8-14(13)10-21(19)30/h2,5-10,15-17,23,26,30H,3-4,11-12H2,1H3/t15-,16+,17?
InChIKeyVSSRFECTAXTCRK-SJPCQFCGSA-N
MW426.47 g/mol
LogP4.32
Rot. Bonds5

About 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol

3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol (PubChem CID 137464867) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol.

Molecular Properties

Compound Name3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol
PubChem CID137464867
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol
SMILESCN(c1ccc(-c2cc3ccc(OC(F)F)cc3cc2O)nn1)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C23H24F2N4O2/c1-29(17-11-15-3-4-16(12-17)26-15)22-7-6-20(27-28-22)19-9-13-2-5-18(31-23(24)25)8-14(13)10-21(19)30/h2,5-10,15-17,23,26,30H,3-4,11-12H2,1H3/t15-,16+,17?
InChIKeyVSSRFECTAXTCRK-SJPCQFCGSA-N
XLogP4.32
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol with MolForge

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Related Compounds

CID 136253058
CID 136253058
CID 155284748
CID 155284748
CID 163200920
CID 163200920
CID 155284693
CID 155284693
CID 155284753
CID 155284753
CID 155284806
CID 155284806
CID 163200921
CID 163200921
CID 163200922
CID 163200922
CID 163200923
CID 163200923
CID 163200924
CID 163200924
CID 163200925
CID 163200925
CID 170442415
CID 170442415

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol?
The IUPAC name of 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol (CID 137464867) is 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol.
What is the SMILES notation for 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol?
The canonical SMILES for 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol is CN(c1ccc(-c2cc3ccc(OC(F)F)cc3cc2O)nn1)C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol?
The InChIKey is VSSRFECTAXTCRK-SJPCQFCGSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-29(17-11-15-3-4-16(12-17)26-15)22-7-6-20(27-28-22)19-9-13-2-5-18(31-23(24)25)8-14(13)10-21(19)30/h2,5-10,15-17,23,26,30H,3-4,11-12H2,1H3/t15-,16+,17?.
What are the key properties of 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol?
3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol has a molecular weight of 426.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-7-(difluoromethoxy)naphthalen-2-ol is sourced from PubChem (CID 137464867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).