N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide

C22H23N5O3 — CID 93485958

About N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 93485958) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
• PubChem CID: 93485958
• Molecular Formula: C22H23N5O3
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.18
• IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
• SMILES: O=C(NCCc1c[nH]c2ccccc12)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2
• InChI: InChI=1S/C22H23N5O3/c28-21(23-8-7-14-10-24-19-6-2-1-5-16(14)19)17-12-27(11-15-4-3-9-30-15)13-18-20(17)25-26-22(18)29/h1-2,5-6,10,12-13,15,24H,3-4,7-9,11H2,(H,23,28)(H,26,29)/t15-/m0/s1
• InChIKey: PPZRHWTUAVLOLE-HNNXBMFYSA-N
• XLogP: 2.31
• TPSA: 104.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 93485958) is N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide.

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

The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2.

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

The InChIKey is PPZRHWTUAVLOLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-21(23-8-7-14-10-24-19-6-2-1-5-16(14)19)17-12-27(11-15-4-3-9-30-15)13-18-20(17)25-26-22(18)29/h1-2,5-6,10,12-13,15,24H,3-4,7-9,11H2,(H,23,28)(H,26,29)/t15-/m0/s1.

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

N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)ethyl]-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 93485958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).