1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one

C30H36N4O — CID 137464604

About 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one

1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one (PubChem CID 137464604) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one
• PubChem CID: 137464604
• Molecular Formula: C30H36N4O
• Molecular Weight: 468.65 g/mol
• Exact Mass: 468.29
• IUPAC Name: 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one
• SMILES: CCCN1CCC(c2ccc3[nH]c(-c4cc(-c5cccnc5)c(=O)n(C)c4)c(C(C)C)c3c2)CC1
• InChI: InChI=1S/C30H36N4O/c1-5-13-34-14-10-21(11-15-34)22-8-9-27-26(16-22)28(20(2)3)29(32-27)24-17-25(30(35)33(4)19-24)23-7-6-12-31-18-23/h6-9,12,16-21,32H,5,10-11,13-15H2,1-4H3
• InChIKey: AXVONYGIBFYVGI-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 53.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.65
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one?

The IUPAC name of 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one (CID 137464604) is 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one.

What is the SMILES notation for 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one?

The canonical SMILES for 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one is CCCN1CCC(c2ccc3[nH]c(-c4cc(-c5cccnc5)c(=O)n(C)c4)c(C(C)C)c3c2)CC1.

What is the InChIKey of 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one?

The InChIKey is AXVONYGIBFYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c1-5-13-34-14-10-21(11-15-34)22-8-9-27-26(16-22)28(20(2)3)29(32-27)24-17-25(30(35)33(4)19-24)23-7-6-12-31-18-23/h6-9,12,16-21,32H,5,10-11,13-15H2,1-4H3.

What are the key properties of 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one?

1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one has a molecular weight of 468.65 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 137464604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).