2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one

C31H30N6O — CID 168970740

About 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one

2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one (PubChem CID 168970740) has the molecular formula C31H30N6O and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one
• PubChem CID: 168970740
• Molecular Formula: C31H30N6O
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.25
• IUPAC Name: 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one
• SMILES: CC1(C)CCN(Cc2ccc3nc(Cn4ccc5c(C#Cc6ccncc6)cncc5c4=O)cn3c2)CC1
• InChI: InChI=1S/C31H30N6O/c1-31(2)10-15-35(16-11-31)19-24-4-6-29-34-26(22-37(29)20-24)21-36-14-9-27-25(17-33-18-28(27)30(36)38)5-3-23-7-12-32-13-8-23/h4,6-9,12-14,17-18,20,22H,10-11,15-16,19,21H2,1-2H3
• InChIKey: WXEAWOQWQCZPOD-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 68.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one?

The IUPAC name of 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one (CID 168970740) is 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one.

What is the SMILES notation for 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one?

The canonical SMILES for 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one is CC1(C)CCN(Cc2ccc3nc(Cn4ccc5c(C#Cc6ccncc6)cncc5c4=O)cn3c2)CC1.

What is the InChIKey of 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one?

The InChIKey is WXEAWOQWQCZPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O/c1-31(2)10-15-35(16-11-31)19-24-4-6-29-34-26(22-37(29)20-24)21-36-14-9-27-25(17-33-18-28(27)30(36)38)5-3-23-7-12-32-13-8-23/h4,6-9,12-14,17-18,20,22H,10-11,15-16,19,21H2,1-2H3.

What are the key properties of 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one?

2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one has a molecular weight of 502.62 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 168970740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).