1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

C22H23N7O2 — CID 148946202

IUPAC1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCN1CCN(c2ncc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ncc4cn3)o2)CC1
InChIInChI=1S/C22H23N7O2/c1-27-3-5-29(6-4-27)22-25-13-21(31-22)20(30)9-18-7-15-8-19(17-12-26-28(2)14-17)24-11-16(15)10-23-18/h7-8,10-14H,3-6,9H2,1-2H3
InChIKeyPOZHFJFDLBKNOZ-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 148946202) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID148946202
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCN1CCN(c2ncc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ncc4cn3)o2)CC1
InChIInChI=1S/C22H23N7O2/c1-27-3-5-29(6-4-27)22-25-13-21(31-22)20(30)9-18-7-15-8-19(17-12-26-28(2)14-17)24-11-16(15)10-23-18/h7-8,10-14H,3-6,9H2,1-2H3
InChIKeyPOZHFJFDLBKNOZ-UHFFFAOYSA-N
XLogP2.20
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-Benzyl-2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,3-oxazole
CID 168264144
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 138585715
2-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1,3-oxazole-5-carboxamide
CID 138586933
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138587939
2-(4-methylpiperazin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-5-carboxamide
CID 138588000
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1,3-oxazole-5-carboxamide
CID 138588697
2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1,3-oxazole-5-carboxamide
CID 138589025
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138589509
1-[2-(4-Methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 147861601
1-[2-(4-Methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 147890174
1-[2-(4-Methylpiperazin-1-yl)-1,3-oxazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 157191111
1-[2-[3-(Dimethylamino)azetidin-1-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 157674616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (CID 148946202) is 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is CN1CCN(c2ncc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ncc4cn3)o2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is POZHFJFDLBKNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-27-3-5-29(6-4-27)22-25-13-21(31-22)20(30)9-18-7-15-8-19(17-12-26-28(2)14-17)24-11-16(15)10-23-18/h7-8,10-14H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 417.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 148946202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).