8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine

C24H27FN4O — CID 59011512

IUPAC8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)c2n1
InChIInChI=1S/C24H27FN4O/c1-30-23-8-7-22-24(27-23)20(21(25)11-26-22)9-10-28-13-18-15-29(16-19(18)14-28)12-17-5-3-2-4-6-17/h2-8,11,18-19H,9-10,12-16H2,1H3/t18-,19+
InChIKeyOVPBLOYZKQOAFL-KDURUIRLSA-N
MW406.51 g/mol
LogP3.38
Rot. Bonds6

About 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine

8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine (PubChem CID 59011512) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine.

Molecular Properties

Compound Name8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
PubChem CID59011512
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)c2n1
InChIInChI=1S/C24H27FN4O/c1-30-23-8-7-22-24(27-23)20(21(25)11-26-22)9-10-28-13-18-15-29(16-19(18)14-28)12-17-5-3-2-4-6-17/h2-8,11,18-19H,9-10,12-16H2,1H3/t18-,19+
InChIKeyOVPBLOYZKQOAFL-KDURUIRLSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine with MolForge

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Related Compounds

8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 143269696
7-fluoro-2-methoxy-8-(2-phenylethyl)-1,5-naphthyridine
CID 141180436
benzyl N-[[(3R,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]carbamate
CID 131728028
3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
CID 59130268
(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-[(naphthalen-2-ylmethylamino)methyl]pyrrolidin-3-ol
CID 44530217
3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
CID 68576770
5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole
CID 177226839
2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503167
7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine
CID 177226876
6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane
CID 143174555
tert-butyl N-[[1-(2-chloroacetyl)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperazin-2-yl]methyl]carbamate;ethane
CID 143178033
6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-amine
CID 141165400

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
The IUPAC name of 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine (CID 59011512) is 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine.
What is the SMILES notation for 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
The canonical SMILES for 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine is COc1ccc2ncc(F)c(CCN3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)c2n1.
What is the InChIKey of 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
The InChIKey is OVPBLOYZKQOAFL-KDURUIRLSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-30-23-8-7-22-24(27-23)20(21(25)11-26-22)9-10-28-13-18-15-29(16-19(18)14-28)12-17-5-3-2-4-6-17/h2-8,11,18-19H,9-10,12-16H2,1H3/t18-,19+.
What are the key properties of 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine has a molecular weight of 406.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine is sourced from PubChem (CID 59011512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).