1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C27H39N7O — CID 177123500

About 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 177123500) has the molecular formula C27H39N7O and a molecular weight of 477.66 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 177123500
• Molecular Formula: C27H39N7O
• Molecular Weight: 477.66 g/mol
• Exact Mass: 477.32
• IUPAC Name: 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cnccc43)nn2C2CCN(CC3CCNCC3)CC2)C1
• InChI: InChI=1S/C27H39N7O/c1-20(35)32-16-9-26-24(19-32)27(33-13-2-3-22-17-29-12-6-25(22)33)30-34(26)23-7-14-31(15-8-23)18-21-4-10-28-11-5-21/h6,12,17,21,23,28H,2-5,7-11,13-16,18-19H2,1H3
• InChIKey: IXHCSTDUADIQJZ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 69.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.66
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 177123500) is 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCCc4cnccc43)nn2C2CCN(CC3CCNCC3)CC2)C1.

What is the InChIKey of 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is IXHCSTDUADIQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N7O/c1-20(35)32-16-9-26-24(19-32)27(33-13-2-3-22-17-29-12-6-25(22)33)30-34(26)23-7-14-31(15-8-23)18-21-4-10-28-11-5-21/h6,12,17,21,23,28H,2-5,7-11,13-16,18-19H2,1H3.

What are the key properties of 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 477.66 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 177123500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).