5LV

C₂₃H₃₀N₆O₂ — CID 156613431

About 5LV

5LV (PubChem CID 156613431) has the molecular formula C₂₃H₃₀N₆O₂ and a molecular weight of 422.53 g/mol. Its IUPAC name is 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

• Compound Name: 5LV
• PubChem CID: 156613431
• Molecular Formula: C₂₃H₃₀N₆O₂
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.24
• IUPAC Name: 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one
• SMILES: Cc1cc2c(-c3cncc(CO)c3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O
• InChI: InChI=1S/C23H30N6O2/c1-15-9-19-20(17-10-16(14-30)11-25-12-17)13-26-22(21(19)28-23(15)31)27-18-3-7-29(8-4-18)6-2-5-24/h9-13,18,30H,2-8,14,24H2,1H3,(H,26,27)(H,28,31)
• InChIKey: WQPQQRVHJTZSFA-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 120.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5LV?

The IUPAC name of 5LV (CID 156613431) is 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one.

What is the SMILES notation for 5LV?

The canonical SMILES for 5LV is Cc1cc2c(-c3cncc(CO)c3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O.

What is the InChIKey of 5LV?

The InChIKey is WQPQQRVHJTZSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-9-19-20(17-10-16(14-30)11-25-12-17)13-26-22(21(19)28-23(15)31)27-18-3-7-29(8-4-18)6-2-5-24/h9-13,18,30H,2-8,14,24H2,1H3,(H,26,27)(H,28,31).

What are the key properties of 5LV?

5LV has a molecular weight of 422.53 g/mol, XLogP of 2.01, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5LV is sourced from PubChem (CID 156613431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156613431 — identifiers, structure, computed properties (public domain)

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