7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one

C22H31FN4O — CID 176762638

IUPAC7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one
SMILESCC(C)c1c(C(C)C)n(C(C)C)c2nc(N3C[C@@H]4C(N)[C@@H]4C3)c(F)cc2c1=O
InChIInChI=1S/C22H31FN4O/c1-10(2)17-19(11(3)4)27(12(5)6)21-13(20(17)28)7-16(23)22(25-21)26-8-14-15(9-26)18(14)24/h7,10-12,14-15,18H,8-9,24H2,1-6H3/t14-,15+,18?
InChIKeyXYQLZSKZDWGASQ-MVVMVCHASA-N
MW386.52 g/mol
LogP3.76
Rot. Bonds4

About 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one

7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one (PubChem CID 176762638) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one
PubChem CID176762638
Molecular FormulaC22H31FN4O
Molecular Weight386.52 g/mol
Exact Mass386.25
IUPAC Name7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one
SMILESCC(C)c1c(C(C)C)n(C(C)C)c2nc(N3C[C@@H]4C(N)[C@@H]4C3)c(F)cc2c1=O
InChIInChI=1S/C22H31FN4O/c1-10(2)17-19(11(3)4)27(12(5)6)21-13(20(17)28)7-16(23)22(25-21)26-8-14-15(9-26)18(14)24/h7,10-12,14-15,18H,8-9,24H2,1-6H3/t14-,15+,18?
InChIKeyXYQLZSKZDWGASQ-MVVMVCHASA-N
XLogP3.76
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one?
The IUPAC name of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one (CID 176762638) is 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one is CC(C)c1c(C(C)C)n(C(C)C)c2nc(N3C[C@@H]4C(N)[C@@H]4C3)c(F)cc2c1=O.
What is the InChIKey of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one?
The InChIKey is XYQLZSKZDWGASQ-MVVMVCHASA-N. The full InChI is InChI=1S/C22H31FN4O/c1-10(2)17-19(11(3)4)27(12(5)6)21-13(20(17)28)7-16(23)22(25-21)26-8-14-15(9-26)18(14)24/h7,10-12,14-15,18H,8-9,24H2,1-6H3/t14-,15+,18?.
What are the key properties of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one?
7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one has a molecular weight of 386.52 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 176762638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).