2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one

C34H31N7O2 — CID 11672017

About 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one

2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one (PubChem CID 11672017) has the molecular formula C34H31N7O2 and a molecular weight of 569.67 g/mol. Its IUPAC name is 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one.

Molecular Properties

• Compound Name: 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
• PubChem CID: 11672017
• Molecular Formula: C34H31N7O2
• Molecular Weight: 569.67 g/mol
• Exact Mass: 569.25
• IUPAC Name: 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
• SMILES: COc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n2)cn1
• InChI: InChI=1S/C34H31N7O2/c1-43-30-12-11-26(20-36-30)33-38-32(39-40-33)25-14-17-41(18-15-25)21-22-7-9-24(10-8-22)31-27(23-5-3-2-4-6-23)19-28-29(37-31)13-16-35-34(28)42/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,35,42)(H,38,39,40)
• InChIKey: JLQPVVYLBVGTJX-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 112.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.67
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?

The IUPAC name of 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one (CID 11672017) is 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one.

What is the SMILES notation for 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?

The canonical SMILES for 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one is COc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n2)cn1.

What is the InChIKey of 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?

The InChIKey is JLQPVVYLBVGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N7O2/c1-43-30-12-11-26(20-36-30)33-38-32(39-40-33)25-14-17-41(18-15-25)21-22-7-9-24(10-8-22)31-27(23-5-3-2-4-6-23)19-28-29(37-31)13-16-35-34(28)42/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,35,42)(H,38,39,40).

What are the key properties of 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?

2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one has a molecular weight of 569.67 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-[3-(6-methoxy-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 11672017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).