3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one

C30H26FN5O3 — CID 167497743

IUPAC3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1nc2c(F)c(-c3cc(O)cc4ccccc34)ncc2c2c1cc(CN1CCOC1=O)n2C1C2CNC1C2
InChIInChI=1S/C30H26FN5O3/c1-15-21-10-18(14-35-6-7-39-30(35)38)36(28-17-9-24(28)32-12-17)29(21)23-13-33-26(25(31)27(23)34-15)22-11-19(37)8-16-4-2-3-5-20(16)22/h2-5,8,10-11,13,17,24,28,32,37H,6-7,9,12,14H2,1H3
InChIKeyNRNGULGESYALEM-UHFFFAOYSA-N
MW523.57 g/mol
LogP5.04
Rot. Bonds4

About 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one

3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 167497743) has the molecular formula C30H26FN5O3 and a molecular weight of 523.57 g/mol. Its IUPAC name is 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID167497743
Molecular FormulaC30H26FN5O3
Molecular Weight523.57 g/mol
Exact Mass523.20
IUPAC Name3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1nc2c(F)c(-c3cc(O)cc4ccccc34)ncc2c2c1cc(CN1CCOC1=O)n2C1C2CNC1C2
InChIInChI=1S/C30H26FN5O3/c1-15-21-10-18(14-35-6-7-39-30(35)38)36(28-17-9-24(28)32-12-17)29(21)23-13-33-26(25(31)27(23)34-15)22-11-19(37)8-16-4-2-3-5-20(16)22/h2-5,8,10-11,13,17,24,28,32,37H,6-7,9,12,14H2,1H3
InChIKeyNRNGULGESYALEM-UHFFFAOYSA-N
XLogP5.04
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.57
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one (CID 167497743) is 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one is Cc1nc2c(F)c(-c3cc(O)cc4ccccc34)ncc2c2c1cc(CN1CCOC1=O)n2C1C2CNC1C2.
What is the InChIKey of 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NRNGULGESYALEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O3/c1-15-21-10-18(14-35-6-7-39-30(35)38)36(28-17-9-24(28)32-12-17)29(21)23-13-33-26(25(31)27(23)34-15)22-11-19(37)8-16-4-2-3-5-20(16)22/h2-5,8,10-11,13,17,24,28,32,37H,6-7,9,12,14H2,1H3.
What are the key properties of 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one?
3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 523.57 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-azabicyclo[2.1.1]hexan-5-yl)-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-methylpyrrolo[3,2-c][1,6]naphthyridin-2-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167497743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).