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

C22H25N9O2 — CID 66888199

IUPAC6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one
SMILESCn1ccc2cc(-c3cnc(N)nc3)nc(Nc3cnn(CCN4CCOCC4)c3)c2c1=O
InChIInChI=1S/C22H25N9O2/c1-29-3-2-15-10-18(16-11-24-22(23)25-12-16)28-20(19(15)21(29)32)27-17-13-26-31(14-17)5-4-30-6-8-33-9-7-30/h2-3,10-14H,4-9H2,1H3,(H,27,28)(H2,23,24,25)
InChIKeyRPZWPKQXVWQAJC-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.25
Rot. Bonds6

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

6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one (PubChem CID 66888199) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one
PubChem CID66888199
Molecular FormulaC22H25N9O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one
SMILESCn1ccc2cc(-c3cnc(N)nc3)nc(Nc3cnn(CCN4CCOCC4)c3)c2c1=O
InChIInChI=1S/C22H25N9O2/c1-29-3-2-15-10-18(16-11-24-22(23)25-12-16)28-20(19(15)21(29)32)27-17-13-26-31(14-17)5-4-30-6-8-33-9-7-30/h2-3,10-14H,4-9H2,1H3,(H,27,28)(H2,23,24,25)
InChIKeyRPZWPKQXVWQAJC-UHFFFAOYSA-N
XLogP1.25
TPSA129.01 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one (CID 66888199) is 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one is Cn1ccc2cc(-c3cnc(N)nc3)nc(Nc3cnn(CCN4CCOCC4)c3)c2c1=O.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one?
The InChIKey is RPZWPKQXVWQAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-29-3-2-15-10-18(16-11-24-22(23)25-12-16)28-20(19(15)21(29)32)27-17-13-26-31(14-17)5-4-30-6-8-33-9-7-30/h2-3,10-14H,4-9H2,1H3,(H,27,28)(H2,23,24,25).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one has a molecular weight of 447.50 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-methyl-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).