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

C21H23N9O2 — CID 66887669

IUPAC6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
SMILESNc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cnn(CCN4CCOCC4)c3)n2)cn1
InChIInChI=1S/C21H23N9O2/c22-21-24-10-15(11-25-21)17-9-14-1-2-23-20(31)18(14)19(28-17)27-16-12-26-30(13-16)4-3-29-5-7-32-8-6-29/h1-2,9-13H,3-8H2,(H,23,31)(H,27,28)(H2,22,24,25)
InChIKeyNEDATAPHVDAQOL-UHFFFAOYSA-N
MW433.48 g/mol
LogP1.23
Rot. Bonds6

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

6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one (PubChem CID 66887669) has the molecular formula C21H23N9O2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
PubChem CID66887669
Molecular FormulaC21H23N9O2
Molecular Weight433.48 g/mol
Exact Mass433.20
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
SMILESNc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cnn(CCN4CCOCC4)c3)n2)cn1
InChIInChI=1S/C21H23N9O2/c22-21-24-10-15(11-25-21)17-9-14-1-2-23-20(31)18(14)19(28-17)27-16-12-26-30(13-16)4-3-29-5-7-32-8-6-29/h1-2,9-13H,3-8H2,(H,23,31)(H,27,28)(H2,22,24,25)
InChIKeyNEDATAPHVDAQOL-UHFFFAOYSA-N
XLogP1.23
TPSA139.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one (CID 66887669) is 6-(2-aminopyrimidin-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-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one is Nc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cnn(CCN4CCOCC4)c3)n2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
The InChIKey is NEDATAPHVDAQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O2/c22-21-24-10-15(11-25-21)17-9-14-1-2-23-20(31)18(14)19(28-17)27-16-12-26-30(13-16)4-3-29-5-7-32-8-6-29/h1-2,9-13H,3-8H2,(H,23,31)(H,27,28)(H2,22,24,25).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one has a molecular weight of 433.48 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66887669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).