5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide

C41H50ClN5O7 — CID 166554341

About 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide

5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide (PubChem CID 166554341) has the molecular formula C41H50ClN5O7 and a molecular weight of 760.33 g/mol. Its IUPAC name is 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide.

Molecular Properties

• Compound Name: 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide
• PubChem CID: 166554341
• Molecular Formula: C41H50ClN5O7
• Molecular Weight: 760.33 g/mol
• Exact Mass: 759.34
• IUPAC Name: 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide
• SMILES: CNC=O.COc1cc(C(=O)N2CC3CN(C(=O)Cc4c[nH]c5cc(Cl)ccc45)CC(C(=O)NC[C@@H](C)OCc4ccccc4)C3C2)ccc1OC(C)C
• InChI: InChI=1S/C39H45ClN4O6.C2H5NO/c1-24(2)50-35-13-10-27(14-36(35)48-4)39(47)44-20-29-19-43(37(45)15-28-18-41-34-16-30(40)11-12-31(28)34)22-33(32(29)21-44)38(46)42-17-25(3)49-23-26-8-6-5-7-9-26;1-3-2-4/h5-14,16,18,24-25,29,32-33,41H,15,17,19-23H2,1-4H3,(H,42,46);2H,1H3,(H,3,4)/t25-,29?,32?,33?;/m1./s1
• InChIKey: MPXGDFNUIPXXQZ-KIACIXHHSA-N
• XLogP: 5.09
• TPSA: 142.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.33
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide?

The IUPAC name of 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide (CID 166554341) is 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide.

What is the SMILES notation for 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide?

The canonical SMILES for 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide is CNC=O.COc1cc(C(=O)N2CC3CN(C(=O)Cc4c[nH]c5cc(Cl)ccc45)CC(C(=O)NC[C@@H](C)OCc4ccccc4)C3C2)ccc1OC(C)C.

What is the InChIKey of 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide?

The InChIKey is MPXGDFNUIPXXQZ-KIACIXHHSA-N. The full InChI is InChI=1S/C39H45ClN4O6.C2H5NO/c1-24(2)50-35-13-10-27(14-36(35)48-4)39(47)44-20-29-19-43(37(45)15-28-18-41-34-16-30(40)11-12-31(28)34)22-33(32(29)21-44)38(46)42-17-25(3)49-23-26-8-6-5-7-9-26;1-3-2-4/h5-14,16,18,24-25,29,32-33,41H,15,17,19-23H2,1-4H3,(H,42,46);2H,1H3,(H,3,4)/t25-,29?,32?,33?;/m1./s1.

What are the key properties of 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide?

5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide has a molecular weight of 760.33 g/mol, XLogP of 5.09, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[(2R)-2-phenylmethoxypropyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;N-methylformamide is sourced from PubChem (CID 166554341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).