6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol

C20H21FN6O — CID 166586401

IUPAC6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol
SMILESCN(c1ccc(-c2cc3cncnc3cc2O)nn1)[C@@H]1CC2CCC(N2)[C@@H]1F
InChIInChI=1S/C20H21FN6O/c1-27(17-7-12-2-3-15(24-12)20(17)21)19-5-4-14(25-26-19)13-6-11-9-22-10-23-16(11)8-18(13)28/h4-6,8-10,12,15,17,20,24,28H,2-3,7H2,1H3/t12?,15?,17-,20+/m1/s1
InChIKeyHXLCNFWJSSZYFR-RECCZHHOSA-N
MW380.43 g/mol
LogP2.46
Rot. Bonds3

About 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol

6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol (PubChem CID 166586401) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol.

Molecular Properties

Compound Name6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol
PubChem CID166586401
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol
SMILESCN(c1ccc(-c2cc3cncnc3cc2O)nn1)[C@@H]1CC2CCC(N2)[C@@H]1F
InChIInChI=1S/C20H21FN6O/c1-27(17-7-12-2-3-15(24-12)20(17)21)19-5-4-14(25-26-19)13-6-11-9-22-10-23-16(11)8-18(13)28/h4-6,8-10,12,15,17,20,24,28H,2-3,7H2,1H3/t12?,15?,17-,20+/m1/s1
InChIKeyHXLCNFWJSSZYFR-RECCZHHOSA-N
XLogP2.46
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol?
The IUPAC name of 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol (CID 166586401) is 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol.
What is the SMILES notation for 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol?
The canonical SMILES for 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol is CN(c1ccc(-c2cc3cncnc3cc2O)nn1)[C@@H]1CC2CCC(N2)[C@@H]1F.
What is the InChIKey of 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol?
The InChIKey is HXLCNFWJSSZYFR-RECCZHHOSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-27(17-7-12-2-3-15(24-12)20(17)21)19-5-4-14(25-26-19)13-6-11-9-22-10-23-16(11)8-18(13)28/h4-6,8-10,12,15,17,20,24,28H,2-3,7H2,1H3/t12?,15?,17-,20+/m1/s1.
What are the key properties of 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol?
6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol has a molecular weight of 380.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol is sourced from PubChem (CID 166586401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).