3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C32H42N6O — CID 123168676

About 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 123168676) has the molecular formula C32H42N6O and a molecular weight of 526.73 g/mol. Its IUPAC name is 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
• PubChem CID: 123168676
• Molecular Formula: C32H42N6O
• Molecular Weight: 526.73 g/mol
• Exact Mass: 526.34
• IUPAC Name: 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
• SMILES: Cc1cc(C)c(CNCc2cc(-c3ccc(N4CCNC(C)(C)C4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C32H42N6O/c1-20(2)38-18-22(4)30-26(15-33-17-27-21(3)12-23(5)36-31(27)39)13-25(14-28(30)38)24-8-9-29(34-16-24)37-11-10-35-32(6,7)19-37/h8-9,12-14,16,18,20,33,35H,10-11,15,17,19H2,1-7H3,(H,36,39)
• InChIKey: IEXVGPMJVPDSBZ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 77.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.73
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?

The IUPAC name of 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 123168676) is 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

What is the SMILES notation for 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?

The canonical SMILES for 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(CNCc2cc(-c3ccc(N4CCNC(C)(C)C4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1.

What is the InChIKey of 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?

The InChIKey is IEXVGPMJVPDSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O/c1-20(2)38-18-22(4)30-26(15-33-17-27-21(3)12-23(5)36-31(27)39)13-25(14-28(30)38)24-8-9-29(34-16-24)37-11-10-35-32(6,7)19-37/h8-9,12-14,16,18,20,33,35H,10-11,15,17,19H2,1-7H3,(H,36,39).

What are the key properties of 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?

3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 526.73 g/mol, XLogP of 5.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 123168676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).