6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one

C17H16N8O — CID 58094395

IUPAC6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one
SMILESCn1cc(Nc2nc(-c3cnc(N)nc3)cc3ccn(C)c(=O)c23)cn1
InChIInChI=1S/C17H16N8O/c1-24-4-3-10-5-13(11-6-19-17(18)20-7-11)23-15(14(10)16(24)26)22-12-8-21-25(2)9-12/h3-9H,1-2H3,(H,22,23)(H2,18,19,20)
InChIKeyPJANUPJSBPEGHI-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.45
Rot. Bonds3

About 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one (PubChem CID 58094395) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one
PubChem CID58094395
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one
SMILESCn1cc(Nc2nc(-c3cnc(N)nc3)cc3ccn(C)c(=O)c23)cn1
InChIInChI=1S/C17H16N8O/c1-24-4-3-10-5-13(11-6-19-17(18)20-7-11)23-15(14(10)16(24)26)22-12-8-21-25(2)9-12/h3-9H,1-2H3,(H,22,23)(H2,18,19,20)
InChIKeyPJANUPJSBPEGHI-UHFFFAOYSA-N
XLogP1.45
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one (CID 58094395) is 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one is Cn1cc(Nc2nc(-c3cnc(N)nc3)cc3ccn(C)c(=O)c23)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one?
The InChIKey is PJANUPJSBPEGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-24-4-3-10-5-13(11-6-19-17(18)20-7-11)23-15(14(10)16(24)26)22-12-8-21-25(2)9-12/h3-9H,1-2H3,(H,22,23)(H2,18,19,20).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one has a molecular weight of 348.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[(1-methylpyrazol-4-yl)amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).