4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C25H23FN4O2S — CID 168899682

IUPAC4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCN1CCC2(c3nc(S(C)=O)nc4c(F)c(-c5cc(O)cc6ccccc56)ncc34)CC2C1
InChIInChI=1S/C25H23FN4O2S/c1-30-8-7-25(11-15(25)13-30)23-19-12-27-21(20(26)22(19)28-24(29-23)33(2)32)18-10-16(31)9-14-5-3-4-6-17(14)18/h3-6,9-10,12,15,31H,7-8,11,13H2,1-2H3
InChIKeyBZODVHIOBUZQEI-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.02
Rot. Bonds3

About 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 168899682) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID168899682
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCN1CCC2(c3nc(S(C)=O)nc4c(F)c(-c5cc(O)cc6ccccc56)ncc34)CC2C1
InChIInChI=1S/C25H23FN4O2S/c1-30-8-7-25(11-15(25)13-30)23-19-12-27-21(20(26)22(19)28-24(29-23)33(2)32)18-10-16(31)9-14-5-3-4-6-17(14)18/h3-6,9-10,12,15,31H,7-8,11,13H2,1-2H3
InChIKeyBZODVHIOBUZQEI-UHFFFAOYSA-N
XLogP4.02
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol with MolForge

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Related Compounds

4-[2-[[(2S)-4-ethyl-1-methylpyrrolidin-2-yl]methoxy]-8-fluoro-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 170194712
4-[4-[3-(aminomethyl)pyrrolidin-1-yl]-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166157455
3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-4-methylazepan-4-ol
CID 166157538
carbon dioxide;4-[8-fluoro-4-(1-methyl-3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 167695117
4-[4-(8,10-diazabicyclo[4.3.1]decan-8-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;ethane;1-methylpyrrolidine
CID 156645526
4-[2-(azetidin-1-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;methanol
CID 156645490
4-[8-fluoro-2-methoxy-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166157405
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167532942
4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
CID 155630281
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167586565
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167633928
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166139916

Frequently Asked Questions

What is the IUPAC name of 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 168899682) is 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is CN1CCC2(c3nc(S(C)=O)nc4c(F)c(-c5cc(O)cc6ccccc56)ncc34)CC2C1.
What is the InChIKey of 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is BZODVHIOBUZQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c1-30-8-7-25(11-15(25)13-30)23-19-12-27-21(20(26)22(19)28-24(29-23)33(2)32)18-10-16(31)9-14-5-3-4-6-17(14)18/h3-6,9-10,12,15,31H,7-8,11,13H2,1-2H3.
What are the key properties of 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 462.55 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-fluoro-4-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylsulfinylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 168899682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).