4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol

C22H19FN4O — CID 154984379

IUPAC4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol
SMILESOc1cc(-c2ncc3c(N4CCNCC4)cncc3c2F)c2ccccc2c1
InChIInChI=1S/C22H19FN4O/c23-21-19-11-25-13-20(27-7-5-24-6-8-27)18(19)12-26-22(21)17-10-15(28)9-14-3-1-2-4-16(14)17/h1-4,9-13,24,28H,5-8H2
InChIKeyMLGIPMOAIWSZEO-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.70
Rot. Bonds2

About 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol

4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol (PubChem CID 154984379) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol
PubChem CID154984379
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol
SMILESOc1cc(-c2ncc3c(N4CCNCC4)cncc3c2F)c2ccccc2c1
InChIInChI=1S/C22H19FN4O/c23-21-19-11-25-13-20(27-7-5-24-6-8-27)18(19)12-26-22(21)17-10-15(28)9-14-3-1-2-4-16(14)17/h1-4,9-13,24,28H,5-8H2
InChIKeyMLGIPMOAIWSZEO-UHFFFAOYSA-N
XLogP3.70
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
CID 155630281
4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol
CID 170793455
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-[4-(azetidin-3-ylamino)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 169305597
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(3,3,3-trifluoropropoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 164521427
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167596130
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-(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
2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
CID 136934499
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-[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
1-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-4-ol
CID 169228136

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol?
The IUPAC name of 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol (CID 154984379) is 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol.
What is the SMILES notation for 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol?
The canonical SMILES for 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol is Oc1cc(-c2ncc3c(N4CCNCC4)cncc3c2F)c2ccccc2c1.
What is the InChIKey of 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol?
The InChIKey is MLGIPMOAIWSZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-21-19-11-25-13-20(27-7-5-24-6-8-27)18(19)12-26-22(21)17-10-15(28)9-14-3-1-2-4-16(14)17/h1-4,9-13,24,28H,5-8H2.
What are the key properties of 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol?
4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol has a molecular weight of 374.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol is sourced from PubChem (CID 154984379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).