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

C26H36N6O2 — CID 26223827

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26223827) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26223827
• Molecular Formula: C26H36N6O2
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.29
• IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCN1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1c[nH]c3ccccc13)CC2
• InChI: InChI=1S/C26H36N6O2/c1-3-31-11-6-7-20(31)16-28-26(33)25-22-18-30(12-10-24(22)32(29-25)13-14-34-2)17-19-15-27-23-9-5-4-8-21(19)23/h4-5,8-9,15,20,27H,3,6-7,10-14,16-18H2,1-2H3,(H,28,33)/t20-/m0/s1
• InChIKey: BHNGUZBFJLEQLW-FQEVSTJZSA-N
• XLogP: 2.78
• TPSA: 78.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26223827) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCN1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1c[nH]c3ccccc13)CC2.

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

The InChIKey is BHNGUZBFJLEQLW-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-3-31-11-6-7-20(31)16-28-26(33)25-22-18-30(12-10-24(22)32(29-25)13-14-34-2)17-19-15-27-23-9-5-4-8-21(19)23/h4-5,8-9,15,20,27H,3,6-7,10-14,16-18H2,1-2H3,(H,28,33)/t20-/m0/s1.

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(1H-indol-3-ylmethyl)-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26223827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).