[3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde

C67H92F2N12O6 — CID 170603612

About [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde

[3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde (PubChem CID 170603612) has the molecular formula C67H92F2N12O6 and a molecular weight of 1199.55 g/mol. Its IUPAC name is [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde.

Molecular Properties

• Compound Name: [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde
• PubChem CID: 170603612
• Molecular Formula: C67H92F2N12O6
• Molecular Weight: 1199.55 g/mol
• Exact Mass: 1198.72
• IUPAC Name: [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde
• SMILES: CC1(C)CN(C=O)c2cc(Cc3ccc(F)cc3)c(=O)[nH]c21.CC1CN(C(=O)c2cccc(C(=O)N3CCN(C)C(C)C3)c2)CCN1C.CC1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)CCN1.CCN1CCNC(C)C1
• InChI: InChI=1S/C23H29FN4O2.C20H30N4O2.C17H17FN2O2.C7H16N2/c1-15-12-27(9-8-25-15)13-20(29)28-14-23(2,3)21-19(28)11-17(22(30)26-21)10-16-4-6-18(24)7-5-16;1-15-13-23(10-8-21(15)3)19(25)17-6-5-7-18(12-17)20(26)24-11-9-22(4)16(2)14-24;1-17(2)9-20(10-21)14-8-12(16(22)19-15(14)17)7-11-3-5-13(18)6-4-11;1-3-9-5-4-8-7(2)6-9/h4-7,11,15,25H,8-10,12-14H2,1-3H3,(H,26,30);5-7,12,15-16H,8-11,13-14H2,1-4H3;3-6,8,10H,7,9H2,1-2H3,(H,19,22);7-8H,3-6H2,1-2H3
• InChIKey: DCMDSQMMBBPWFC-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 183.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.55
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde?

The IUPAC name of [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde (CID 170603612) is [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde.

What is the SMILES notation for [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde?

The canonical SMILES for [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde is CC1(C)CN(C=O)c2cc(Cc3ccc(F)cc3)c(=O)[nH]c21.CC1CN(C(=O)c2cccc(C(=O)N3CCN(C)C(C)C3)c2)CCN1C.CC1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)CCN1.CCN1CCNC(C)C1.

What is the InChIKey of [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde?

The InChIKey is DCMDSQMMBBPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2.C20H30N4O2.C17H17FN2O2.C7H16N2/c1-15-12-27(9-8-25-15)13-20(29)28-14-23(2,3)21-19(28)11-17(22(30)26-21)10-16-4-6-18(24)7-5-16;1-15-13-23(10-8-21(15)3)19(25)17-6-5-7-18(12-17)20(26)24-11-9-22(4)16(2)14-24;1-17(2)9-20(10-21)14-8-12(16(22)19-15(14)17)7-11-3-5-13(18)6-4-11;1-3-9-5-4-8-7(2)6-9/h4-7,11,15,25H,8-10,12-14H2,1-3H3,(H,26,30);5-7,12,15-16H,8-11,13-14H2,1-4H3;3-6,8,10H,7,9H2,1-2H3,(H,19,22);7-8H,3-6H2,1-2H3.

What are the key properties of [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde?

[3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde has a molecular weight of 1199.55 g/mol, XLogP of 5.92, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde is sourced from PubChem (CID 170603612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).