6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one

C22H24N8O2 — CID 58093850

IUPAC6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
SMILESCc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cnn(CCN4CCOCC4)c3)n2)cn1
InChIInChI=1S/C22H24N8O2/c1-15-24-11-17(12-25-15)19-10-16-2-3-23-22(31)20(16)21(28-19)27-18-13-26-30(14-18)5-4-29-6-8-32-9-7-29/h2-3,10-14H,4-9H2,1H3,(H,23,31)(H,27,28)
InChIKeyBCFLQTSRUODGDU-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.96
Rot. Bonds6

About 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one

6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one (PubChem CID 58093850) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
PubChem CID58093850
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
SMILESCc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cnn(CCN4CCOCC4)c3)n2)cn1
InChIInChI=1S/C22H24N8O2/c1-15-24-11-17(12-25-15)19-10-16-2-3-23-22(31)20(16)21(28-19)27-18-13-26-30(14-18)5-4-29-6-8-32-9-7-29/h2-3,10-14H,4-9H2,1H3,(H,23,31)(H,27,28)
InChIKeyBCFLQTSRUODGDU-UHFFFAOYSA-N
XLogP1.96
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one (CID 58093850) is 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one is Cc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cnn(CCN4CCOCC4)c3)n2)cn1.
What is the InChIKey of 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
The InChIKey is BCFLQTSRUODGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-15-24-11-17(12-25-15)19-10-16-2-3-23-22(31)20(16)21(28-19)27-18-13-26-30(14-18)5-4-29-6-8-32-9-7-29/h2-3,10-14H,4-9H2,1H3,(H,23,31)(H,27,28).
What are the key properties of 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one has a molecular weight of 432.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).