6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile

C32H36N6 — CID 154304577

About 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile

6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile (PubChem CID 154304577) has the molecular formula C32H36N6 and a molecular weight of 504.68 g/mol. Its IUPAC name is 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile
• PubChem CID: 154304577
• Molecular Formula: C32H36N6
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.30
• IUPAC Name: 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile
• SMILES: Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1C=Cc1cccc(CN2CCN(C(C)C)CC2)c1
• InChI: InChI=1S/C32H36N6/c1-22(2)38-16-14-37(15-17-38)21-26-7-5-6-25(18-26)8-9-29-24(4)35-20-27(19-33)32(29)36-30-10-11-31-28(23(30)3)12-13-34-31/h5-13,18,20,22,34H,14-17,21H2,1-4H3,(H,35,36)
• InChIKey: LXQNOISDWHDBED-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 70.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile?

The IUPAC name of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile (CID 154304577) is 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile is Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1C=Cc1cccc(CN2CCN(C(C)C)CC2)c1.

What is the InChIKey of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile?

The InChIKey is LXQNOISDWHDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6/c1-22(2)38-16-14-37(15-17-38)21-26-7-5-6-25(18-26)8-9-29-24(4)35-20-27(19-33)32(29)36-30-10-11-31-28(23(30)3)12-13-34-31/h5-13,18,20,22,34H,14-17,21H2,1-4H3,(H,35,36).

What are the key properties of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile?

6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile has a molecular weight of 504.68 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 154304577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).