4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C22H26N6O2 — CID 138518525

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCN1CCN(C(=O)c2cc3c(N4CCC5(CC4)CC5)c(C#N)c(=O)[nH]c3cn2)CC1
InChIInChI=1S/C22H26N6O2/c1-26-8-10-28(11-9-26)21(30)17-12-15-18(14-24-17)25-20(29)16(13-23)19(15)27-6-4-22(2-3-22)5-7-27/h12,14H,2-11H2,1H3,(H,25,29)
InChIKeyTYZYIMGRKFKDSO-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.56
Rot. Bonds2

About 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518525) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518525
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCN1CCN(C(=O)c2cc3c(N4CCC5(CC4)CC5)c(C#N)c(=O)[nH]c3cn2)CC1
InChIInChI=1S/C22H26N6O2/c1-26-8-10-28(11-9-26)21(30)17-12-15-18(14-24-17)25-20(29)16(13-23)19(15)27-6-4-22(2-3-22)5-7-27/h12,14H,2-11H2,1H3,(H,25,29)
InChIKeyTYZYIMGRKFKDSO-UHFFFAOYSA-N
XLogP1.56
TPSA96.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518525) is 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is CN1CCN(C(=O)c2cc3c(N4CCC5(CC4)CC5)c(C#N)c(=O)[nH]c3cn2)CC1.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is TYZYIMGRKFKDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-26-8-10-28(11-9-26)21(30)17-12-15-18(14-24-17)25-20(29)16(13-23)19(15)27-6-4-22(2-3-22)5-7-27/h12,14H,2-11H2,1H3,(H,25,29).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 406.49 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).