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

C40H49ClN6O6 — CID 166554276

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

5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine (PubChem CID 166554276) has the molecular formula C40H49ClN6O6 and a molecular weight of 745.32 g/mol. Its IUPAC name is 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine.

Molecular Properties

• Compound Name: 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine
• PubChem CID: 166554276
• Molecular Formula: C40H49ClN6O6
• Molecular Weight: 745.32 g/mol
• Exact Mass: 744.34
• IUPAC Name: 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine
• SMILES: CCCc1ccccn1.CNC(=O)CNC(=O)C1CN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC2CN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC21
• InChI: InChI=1S/C32H38ClN5O6.C8H11N/c1-18(2)44-27-8-5-19(9-28(27)43-4)32(42)38-15-21-14-37(17-25(24(21)16-38)31(41)36-13-29(39)34-3)30(40)10-20-12-35-26-11-22(33)6-7-23(20)26;1-2-5-8-6-3-4-7-9-8/h5-9,11-12,18,21,24-25,35H,10,13-17H2,1-4H3,(H,34,39)(H,36,41);3-4,6-7H,2,5H2,1H3
• InChIKey: YANYMWXZDORRRR-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 145.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	745.32
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine?

The IUPAC name of 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine (CID 166554276) is 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine.

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

The canonical SMILES for 5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine is CCCc1ccccn1.CNC(=O)CNC(=O)C1CN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC2CN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC21.

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

The InChIKey is YANYMWXZDORRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN5O6.C8H11N/c1-18(2)44-27-8-5-19(9-28(27)43-4)32(42)38-15-21-14-37(17-25(24(21)16-38)31(41)36-13-29(39)34-3)30(40)10-20-12-35-26-11-22(33)6-7-23(20)26;1-2-5-8-6-3-4-7-9-8/h5-9,11-12,18,21,24-25,35H,10,13-17H2,1-4H3,(H,34,39)(H,36,41);3-4,6-7H,2,5H2,1H3.

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

5-[2-(6-chloro-1H-indol-3-yl)acetyl]-2-(3-methoxy-4-propan-2-yloxybenzoyl)-N-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine has a molecular weight of 745.32 g/mol, XLogP of 4.90, 11 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-[2-(methylamino)-2-oxoethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxamide;2-propylpyridine is sourced from PubChem (CID 166554276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).