6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide

C32H40N6O — CID 123217307

About 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide

6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide (PubChem CID 123217307) has the molecular formula C32H40N6O and a molecular weight of 524.71 g/mol. Its IUPAC name is 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

• Compound Name: 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
• PubChem CID: 123217307
• Molecular Formula: C32H40N6O
• Molecular Weight: 524.71 g/mol
• Exact Mass: 524.33
• IUPAC Name: 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
• SMILES: CC1=NCC(CNC(=O)c2cc(-c3ccc(N4CC5CNCC5C4)nc3)cc3c2c(C)cn3C(C)C)=C(C)C1
• InChI: InChI=1S/C32H40N6O/c1-19(2)38-16-21(4)31-28(32(39)36-15-25-14-34-22(5)8-20(25)3)9-24(10-29(31)38)23-6-7-30(35-13-23)37-17-26-11-33-12-27(26)18-37/h6-7,9-10,13,16,19,26-27,33H,8,11-12,14-15,17-18H2,1-5H3,(H,36,39)
• InChIKey: CGHLUXZQFGXDSI-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 74.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.71
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?

The IUPAC name of 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide (CID 123217307) is 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide.

What is the SMILES notation for 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?

The canonical SMILES for 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide is CC1=NCC(CNC(=O)c2cc(-c3ccc(N4CC5CNCC5C4)nc3)cc3c2c(C)cn3C(C)C)=C(C)C1.

What is the InChIKey of 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?

The InChIKey is CGHLUXZQFGXDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O/c1-19(2)38-16-21(4)31-28(32(39)36-15-25-14-34-22(5)8-20(25)3)9-24(10-29(31)38)23-6-7-30(35-13-23)37-17-26-11-33-12-27(26)18-37/h6-7,9-10,13,16,19,26-27,33H,8,11-12,14-15,17-18H2,1-5H3,(H,36,39).

What are the key properties of 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?

6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide has a molecular weight of 524.71 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-N-[(4,6-dimethyl-2,5-dihydropyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 123217307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).