4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile

C40H44N10O3 — CID 155019536

IUPAC4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC2)CC(n2c(=O)c(C#N)c(N4CCC5(CCC5)CC4)c4nc(N5CCC5)ccc42)C3)c2nc(N3CC(O)C3)ccc2[nH]c1=O
InChIInChI=1S/C40H44N10O3/c41-21-27-35(33-29(43-37(27)52)3-5-32(44-33)49-23-26(51)24-49)47-17-11-40(12-18-47)19-25(20-40)50-30-4-6-31(46-13-2-14-46)45-34(30)36(28(22-42)38(50)53)48-15-9-39(10-16-48)7-1-8-39/h3-6,25-26,51H,1-2,7-20,23-24H2,(H,43,52)
InChIKeyYEXSABPPSPZRSF-UHFFFAOYSA-N
MW712.86 g/mol
LogP4.16
Rot. Bonds5

About 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile

4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile (PubChem CID 155019536) has the molecular formula C40H44N10O3 and a molecular weight of 712.86 g/mol. Its IUPAC name is 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile
PubChem CID155019536
Molecular FormulaC40H44N10O3
Molecular Weight712.86 g/mol
Exact Mass712.36
IUPAC Name4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC2)CC(n2c(=O)c(C#N)c(N4CCC5(CCC5)CC4)c4nc(N5CCC5)ccc42)C3)c2nc(N3CC(O)C3)ccc2[nH]c1=O
InChIInChI=1S/C40H44N10O3/c41-21-27-35(33-29(43-37(27)52)3-5-32(44-33)49-23-26(51)24-49)47-17-11-40(12-18-47)19-25(20-40)50-30-4-6-31(46-13-2-14-46)45-34(30)36(28(22-42)38(50)53)48-15-9-39(10-16-48)7-1-8-39/h3-6,25-26,51H,1-2,7-20,23-24H2,(H,43,52)
InChIKeyYEXSABPPSPZRSF-UHFFFAOYSA-N
XLogP4.16
TPSA161.41 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile (CID 155019536) is 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile is N#Cc1c(N2CCC3(CC2)CC(n2c(=O)c(C#N)c(N4CCC5(CCC5)CC4)c4nc(N5CCC5)ccc42)C3)c2nc(N3CC(O)C3)ccc2[nH]c1=O.
What is the InChIKey of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile?
The InChIKey is YEXSABPPSPZRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N10O3/c41-21-27-35(33-29(43-37(27)52)3-5-32(44-33)49-23-26(51)24-49)47-17-11-40(12-18-47)19-25(20-40)50-30-4-6-31(46-13-2-14-46)45-34(30)36(28(22-42)38(50)53)48-15-9-39(10-16-48)7-1-8-39/h3-6,25-26,51H,1-2,7-20,23-24H2,(H,43,52).
What are the key properties of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile?
4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile has a molecular weight of 712.86 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155019536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).