1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde

C65H94F2N10O8 — CID 170603024

About 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde

1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde (PubChem CID 170603024) has the molecular formula C65H94F2N10O8 and a molecular weight of 1181.52 g/mol. Its IUPAC name is 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde.

Molecular Properties

• Compound Name: 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde
• PubChem CID: 170603024
• Molecular Formula: C65H94F2N10O8
• Molecular Weight: 1181.52 g/mol
• Exact Mass: 1180.72
• IUPAC Name: 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde
• SMILES: CC1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)CCN1.CC1CN(CC=O)CCN1.CN1CC(C)(C)c2[nH]c(=O)c(Cc3ccc(F)cc3)cc21.CN1CCOCC1.CN1CCOCC1.COc1cccc(OC)c1
• InChI: InChI=1S/C23H29FN4O2.C17H19FN2O.C8H10O2.C7H14N2O.2C5H11NO/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;1-17(2)10-20(3)14-9-12(16(21)19-15(14)17)8-11-4-6-13(18)7-5-11;1-9-7-4-3-5-8(6-7)10-2;1-7-6-9(4-5-10)3-2-8-7;2*1-6-2-4-7-5-3-6/h4-7,11,15,25H,8-10,12-14H2,1-3H3,(H,26,30);4-7,9H,8,10H2,1-3H3,(H,19,21);3-6H,1-2H3;5,7-8H,2-4,6H2,1H3;2*2-5H2,1H3
• InChIKey: RXLGGSXBPHPCIL-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 180.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1181.52
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde?

The IUPAC name of 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde (CID 170603024) is 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde.

What is the SMILES notation for 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde?

The canonical SMILES for 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde is CC1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)CCN1.CC1CN(CC=O)CCN1.CN1CC(C)(C)c2[nH]c(=O)c(Cc3ccc(F)cc3)cc21.CN1CCOCC1.CN1CCOCC1.COc1cccc(OC)c1.

What is the InChIKey of 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde?

The InChIKey is RXLGGSXBPHPCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2.C17H19FN2O.C8H10O2.C7H14N2O.2C5H11NO/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;1-17(2)10-20(3)14-9-12(16(21)19-15(14)17)8-11-4-6-13(18)7-5-11;1-9-7-4-3-5-8(6-7)10-2;1-7-6-9(4-5-10)3-2-8-7;2*1-6-2-4-7-5-3-6/h4-7,11,15,25H,8-10,12-14H2,1-3H3,(H,26,30);4-7,9H,8,10H2,1-3H3,(H,19,21);3-6H,1-2H3;5,7-8H,2-4,6H2,1H3;2*2-5H2,1H3.

What are the key properties of 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde?

1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde has a molecular weight of 1181.52 g/mol, XLogP of 5.93, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethoxybenzene;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]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde is sourced from PubChem (CID 170603024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).