5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

C23H39N5O3 — CID 162450566

About 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 162450566) has the molecular formula C23H39N5O3 and a molecular weight of 433.60 g/mol. Its IUPAC name is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 162450566
• Molecular Formula: C23H39N5O3
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.31
• IUPAC Name: 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCOCC1(N(C)C(=O)C2NNC3CCN(C(=O)C4CC5CCCCC5N4)CC32)CC1
• InChI: InChI=1S/C23H39N5O3/c1-3-31-14-23(9-10-23)27(2)22(30)20-16-13-28(11-8-18(16)25-26-20)21(29)19-12-15-6-4-5-7-17(15)24-19/h15-20,24-26H,3-14H2,1-2H3
• InChIKey: KFZAZGDJEVUOQR-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 85.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 162450566) is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCOCC1(N(C)C(=O)C2NNC3CCN(C(=O)C4CC5CCCCC5N4)CC32)CC1.

What is the InChIKey of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is KFZAZGDJEVUOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O3/c1-3-31-14-23(9-10-23)27(2)22(30)20-16-13-28(11-8-18(16)25-26-20)21(29)19-12-15-6-4-5-7-17(15)24-19/h15-20,24-26H,3-14H2,1-2H3.

What are the key properties of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?

5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 162450566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).