2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone

C24H25N7O — CID 158063988

About 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone

2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone (PubChem CID 158063988) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone
• PubChem CID: 158063988
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone
• SMILES: Cn1cc(-c2cc3cc(CC(=O)c4cncc(NC5CCNCC5)c4)ncc3cn2)cn1
• InChI: InChI=1S/C24H25N7O/c1-31-15-19(13-29-31)23-8-16-6-21(27-11-18(16)12-28-23)9-24(32)17-7-22(14-26-10-17)30-20-2-4-25-5-3-20/h6-8,10-15,20,25,30H,2-5,9H2,1H3
• InChIKey: FKZRNYZTCUMFMP-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone?

The IUPAC name of 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone (CID 158063988) is 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone.

What is the SMILES notation for 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone?

The canonical SMILES for 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone is Cn1cc(-c2cc3cc(CC(=O)c4cncc(NC5CCNCC5)c4)ncc3cn2)cn1.

What is the InChIKey of 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone?

The InChIKey is FKZRNYZTCUMFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-31-15-19(13-29-31)23-8-16-6-21(27-11-18(16)12-28-23)9-24(32)17-7-22(14-26-10-17)30-20-2-4-25-5-3-20/h6-8,10-15,20,25,30H,2-5,9H2,1H3.

What are the key properties of 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone?

2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone is sourced from PubChem (CID 158063988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).