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

C22H24N8O3 — CID 66888394

IUPAC6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
SMILESCOc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cnn(CCN4CCOCC4)c3)n2)cn1
InChIInChI=1S/C22H24N8O3/c1-32-22-24-11-16(12-25-22)18-10-15-2-3-23-21(31)19(15)20(28-18)27-17-13-26-30(14-17)5-4-29-6-8-33-9-7-29/h2-3,10-14H,4-9H2,1H3,(H,23,31)(H,27,28)
InChIKeyFZWULZQHWIFZLS-UHFFFAOYSA-N
MW448.49 g/mol
LogP1.66
Rot. Bonds7

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

6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one (PubChem CID 66888394) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
PubChem CID66888394
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
SMILESCOc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cnn(CCN4CCOCC4)c3)n2)cn1
InChIInChI=1S/C22H24N8O3/c1-32-22-24-11-16(12-25-22)18-10-15-2-3-23-21(31)19(15)20(28-18)27-17-13-26-30(14-17)5-4-29-6-8-33-9-7-29/h2-3,10-14H,4-9H2,1H3,(H,23,31)(H,27,28)
InChIKeyFZWULZQHWIFZLS-UHFFFAOYSA-N
XLogP1.66
TPSA123.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one (CID 66888394) is 6-(2-methoxypyrimidin-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-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one is COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cnn(CCN4CCOCC4)c3)n2)cn1.
What is the InChIKey of 6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
The InChIKey is FZWULZQHWIFZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-32-22-24-11-16(12-25-22)18-10-15-2-3-23-21(31)19(15)20(28-18)27-17-13-26-30(14-17)5-4-29-6-8-33-9-7-29/h2-3,10-14H,4-9H2,1H3,(H,23,31)(H,27,28).
What are the key properties of 6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one has a molecular weight of 448.49 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxypyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).