4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide

C23H23N7O2 — CID 174626793

IUPAC4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(-c3cnn(C4CCNCC4)c3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C23H23N7O2/c24-21(31)14-1-3-17(4-2-14)28-22-20-15(5-10-26-23(20)32)11-19(29-22)16-12-27-30(13-16)18-6-8-25-9-7-18/h1-5,10-13,18,25H,6-9H2,(H2,24,31)(H,26,32)(H,28,29)
InChIKeyLABFXKHRBBAEJK-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.55
Rot. Bonds5

About 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide

4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide (PubChem CID 174626793) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide
PubChem CID174626793
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(-c3cnn(C4CCNCC4)c3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C23H23N7O2/c24-21(31)14-1-3-17(4-2-14)28-22-20-15(5-10-26-23(20)32)11-19(29-22)16-12-27-30(13-16)18-6-8-25-9-7-18/h1-5,10-13,18,25H,6-9H2,(H2,24,31)(H,26,32)(H,28,29)
InChIKeyLABFXKHRBBAEJK-UHFFFAOYSA-N
XLogP2.55
TPSA130.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide?
The IUPAC name of 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide (CID 174626793) is 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide.
What is the SMILES notation for 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide?
The canonical SMILES for 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide is NC(=O)c1ccc(Nc2nc(-c3cnn(C4CCNCC4)c3)cc3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide?
The InChIKey is LABFXKHRBBAEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c24-21(31)14-1-3-17(4-2-14)28-22-20-15(5-10-26-23(20)32)11-19(29-22)16-12-27-30(13-16)18-6-8-25-9-7-18/h1-5,10-13,18,25H,6-9H2,(H2,24,31)(H,26,32)(H,28,29).
What are the key properties of 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide?
4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide has a molecular weight of 429.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide is sourced from PubChem (CID 174626793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).