6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one

C35H43N5O3 — CID 159733484

About 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one

6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one (PubChem CID 159733484) has the molecular formula C35H43N5O3 and a molecular weight of 581.76 g/mol. Its IUPAC name is 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one
• PubChem CID: 159733484
• Molecular Formula: C35H43N5O3
• Molecular Weight: 581.76 g/mol
• Exact Mass: 581.34
• IUPAC Name: 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one
• SMILES: CCCc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c1ccn2C1CCOCC1
• InChI: InChI=1S/C35H43N5O3/c1-4-5-25-20-24(2)37-35(42)29(25)7-8-33(41)31-21-27(22-32-30(31)10-13-40(32)28-11-18-43-19-12-28)26-6-9-34(36-23-26)39-16-14-38(3)15-17-39/h6,9-10,13,20-23,28H,4-5,7-8,11-12,14-19H2,1-3H3,(H,37,42)
• InChIKey: VGGRUWOSALEXPH-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 83.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.76
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one?

The IUPAC name of 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one (CID 159733484) is 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one.

What is the SMILES notation for 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one?

The canonical SMILES for 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one is CCCc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c1ccn2C1CCOCC1.

What is the InChIKey of 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one?

The InChIKey is VGGRUWOSALEXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O3/c1-4-5-25-20-24(2)37-35(42)29(25)7-8-33(41)31-21-27(22-32-30(31)10-13-40(32)28-11-18-43-19-12-28)26-6-9-34(36-23-26)39-16-14-38(3)15-17-39/h6,9-10,13,20-23,28H,4-5,7-8,11-12,14-19H2,1-3H3,(H,37,42).

What are the key properties of 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one?

6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one has a molecular weight of 581.76 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one is sourced from PubChem (CID 159733484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).