1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone

C27H25N7O — CID 161188448

About 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 161188448) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone
• PubChem CID: 161188448
• Molecular Formula: C27H25N7O
• Molecular Weight: 463.55 g/mol
• Exact Mass: 463.21
• IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone
• SMILES: CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc6[nH]ccc56)cnc4cn3)ccn2)CC1
• InChI: InChI=1S/C27H25N7O/c1-33-6-8-34(9-7-33)27-12-18(2-4-30-27)26(35)13-21-11-19-10-20(14-32-24(19)17-31-21)23-15-28-16-25-22(23)3-5-29-25/h2-5,10-12,14-17,29H,6-9,13H2,1H3
• InChIKey: UTJYSFOEGJWSHB-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.55
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone?

The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone (CID 161188448) is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone.

What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone?

The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc6[nH]ccc56)cnc4cn3)ccn2)CC1.

What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone?

The InChIKey is UTJYSFOEGJWSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-33-6-8-34(9-7-33)27-12-18(2-4-30-27)26(35)13-21-11-19-10-20(14-32-24(19)17-31-21)23-15-28-16-25-22(23)3-5-29-25/h2-5,10-12,14-17,29H,6-9,13H2,1H3.

What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone?

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 463.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 161188448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).