N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C27H38N6O2 — CID 45159115

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45159115) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 45159115
• Molecular Formula: C27H38N6O2
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.31
• IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(Cc1cn(C)c3ccccc13)CC2
• InChI: InChI=1S/C27H38N6O2/c1-4-32-12-7-8-21(32)16-28-27(34)26-23-19-31(13-11-25(23)33(29-26)14-15-35-3)18-20-17-30(2)24-10-6-5-9-22(20)24/h5-6,9-10,17,21H,4,7-8,11-16,18-19H2,1-3H3,(H,28,34)
• InChIKey: QMQHISSCQJENGN-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 67.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45159115) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(Cc1cn(C)c3ccccc13)CC2.

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

The InChIKey is QMQHISSCQJENGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-4-32-12-7-8-21(32)16-28-27(34)26-23-19-31(13-11-25(23)33(29-26)14-15-35-3)18-20-17-30(2)24-10-6-5-9-22(20)24/h5-6,9-10,17,21H,4,7-8,11-16,18-19H2,1-3H3,(H,28,34).

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(1-methylindol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45159115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).