1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C28H33N5O2 — CID 26147168

About 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26147168) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26147168
• Molecular Formula: C28H33N5O2
• Molecular Weight: 471.61 g/mol
• Exact Mass: 471.26
• IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(Cc2c(C)[nH]c4ccccc24)C3)cc1
• InChI: InChI=1S/C28H33N5O2/c1-19-23(22-7-5-6-8-25(22)29-19)17-32-15-14-26-24(18-32)27(28(34)31(2)3)30-33(26)16-13-20-9-11-21(35-4)12-10-20/h5-12,29H,13-18H2,1-4H3
• InChIKey: JPQYBGPUHSMFMF-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 66.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.61
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26147168) is 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(Cc2c(C)[nH]c4ccccc24)C3)cc1.

What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is JPQYBGPUHSMFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-19-23(22-7-5-6-8-25(22)29-19)17-32-15-14-26-24(18-32)27(28(34)31(2)3)30-33(26)16-13-20-9-11-21(35-4)12-10-20/h5-12,29H,13-18H2,1-4H3.

What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26147168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).