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

C21H22N8O2 — CID 58094536

IUPAC8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3cnn(CCN4CCOCC4)c3)c12
InChIInChI=1S/C21H22N8O2/c30-21-19-15(1-2-24-21)9-18(16-10-22-14-23-11-16)27-20(19)26-17-12-25-29(13-17)4-3-28-5-7-31-8-6-28/h1-2,9-14H,3-8H2,(H,24,30)(H,26,27)
InChIKeySLOXYBGDHMRXDS-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.65
Rot. Bonds6

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

8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one (PubChem CID 58094536) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
PubChem CID58094536
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3cnn(CCN4CCOCC4)c3)c12
InChIInChI=1S/C21H22N8O2/c30-21-19-15(1-2-24-21)9-18(16-10-22-14-23-11-16)27-20(19)26-17-12-25-29(13-17)4-3-28-5-7-31-8-6-28/h1-2,9-14H,3-8H2,(H,24,30)(H,26,27)
InChIKeySLOXYBGDHMRXDS-UHFFFAOYSA-N
XLogP1.65
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one (CID 58094536) is 8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3cnn(CCN4CCOCC4)c3)c12.
What is the InChIKey of 8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The InChIKey is SLOXYBGDHMRXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c30-21-19-15(1-2-24-21)9-18(16-10-22-14-23-11-16)27-20(19)26-17-12-25-29(13-17)4-3-28-5-7-31-8-6-28/h1-2,9-14H,3-8H2,(H,24,30)(H,26,27).
What are the key properties of 8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one has a molecular weight of 418.46 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).