6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol

C22H23F4N3O2 — CID 91501634

IUPAC6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
SMILESCOc1c(F)ccc2c1C(C)(C)CC(O)(C(F)(F)F)C2NCc1cccn2nccc12
InChIInChI=1S/C22H23F4N3O2/c1-20(2)12-21(30,22(24,25)26)19(14-6-7-15(23)18(31-3)17(14)20)27-11-13-5-4-10-29-16(13)8-9-28-29/h4-10,19,27,30H,11-12H2,1-3H3
InChIKeyVPNYAZURJWLYIW-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.29
Rot. Bonds4

About 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol

6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol (PubChem CID 91501634) has the molecular formula C22H23F4N3O2 and a molecular weight of 437.44 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
PubChem CID91501634
Molecular FormulaC22H23F4N3O2
Molecular Weight437.44 g/mol
Exact Mass437.17
IUPAC Name6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
SMILESCOc1c(F)ccc2c1C(C)(C)CC(O)(C(F)(F)F)C2NCc1cccn2nccc12
InChIInChI=1S/C22H23F4N3O2/c1-20(2)12-21(30,22(24,25)26)19(14-6-7-15(23)18(31-3)17(14)20)27-11-13-5-4-10-29-16(13)8-9-28-29/h4-10,19,27,30H,11-12H2,1-3H3
InChIKeyVPNYAZURJWLYIW-UHFFFAOYSA-N
XLogP4.29
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-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-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The IUPAC name of 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol (CID 91501634) is 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol.
What is the SMILES notation for 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The canonical SMILES for 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol is COc1c(F)ccc2c1C(C)(C)CC(O)(C(F)(F)F)C2NCc1cccn2nccc12.
What is the InChIKey of 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The InChIKey is VPNYAZURJWLYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N3O2/c1-20(2)12-21(30,22(24,25)26)19(14-6-7-15(23)18(31-3)17(14)20)27-11-13-5-4-10-29-16(13)8-9-28-29/h4-10,19,27,30H,11-12H2,1-3H3.
What are the key properties of 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol has a molecular weight of 437.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-4,4-dimethyl-1-(pyrazolo[1,5-a]pyridin-4-ylmethylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol is sourced from PubChem (CID 91501634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).