8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one

C20H22N8O2 — CID 158546590

IUPAC8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one
SMILESNc1nn(-c2nccc3c2N=CCC3=O)cc1-c1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C20H22N8O2/c21-19-16(14-11-24-27(12-14)6-5-26-7-9-30-10-8-26)13-28(25-19)20-18-15(1-3-23-20)17(29)2-4-22-18/h1,3-4,11-13H,2,5-10H2,(H2,21,25)
InChIKeyHPENTJQMPQOSGC-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.33
Rot. Bonds5

About 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one

8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one (PubChem CID 158546590) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one
PubChem CID158546590
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one
SMILESNc1nn(-c2nccc3c2N=CCC3=O)cc1-c1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C20H22N8O2/c21-19-16(14-11-24-27(12-14)6-5-26-7-9-30-10-8-26)13-28(25-19)20-18-15(1-3-23-20)17(29)2-4-22-18/h1,3-4,11-13H,2,5-10H2,(H2,21,25)
InChIKeyHPENTJQMPQOSGC-UHFFFAOYSA-N
XLogP1.33
TPSA116.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one?
The IUPAC name of 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one (CID 158546590) is 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one.
What is the SMILES notation for 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one?
The canonical SMILES for 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one is Nc1nn(-c2nccc3c2N=CCC3=O)cc1-c1cnn(CCN2CCOCC2)c1.
What is the InChIKey of 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one?
The InChIKey is HPENTJQMPQOSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c21-19-16(14-11-24-27(12-14)6-5-26-7-9-30-10-8-26)13-28(25-19)20-18-15(1-3-23-20)17(29)2-4-22-18/h1,3-4,11-13H,2,5-10H2,(H2,21,25).
What are the key properties of 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one?
8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one has a molecular weight of 406.45 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one is sourced from PubChem (CID 158546590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).