ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C23H30N6O2 — CID 26142237

About ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26142237) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26142237
• Molecular Formula: C23H30N6O2
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.24
• IUPAC Name: ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(CCCc2cccnc2)c2c1CN(Cc1cn(C)nc1C)CC2
• InChI: InChI=1S/C23H30N6O2/c1-4-31-23(30)22-20-16-28(15-19-14-27(3)25-17(19)2)12-9-21(20)29(26-22)11-6-8-18-7-5-10-24-13-18/h5,7,10,13-14H,4,6,8-9,11-12,15-16H2,1-3H3
• InChIKey: GXPZGUXOJWHLEH-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 78.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26142237) is ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCCc2cccnc2)c2c1CN(Cc1cn(C)nc1C)CC2.

What is the InChIKey of ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is GXPZGUXOJWHLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-4-31-23(30)22-20-16-28(15-19-14-27(3)25-17(19)2)12-9-21(20)29(26-22)11-6-8-18-7-5-10-24-13-18/h5,7,10,13-14H,4,6,8-9,11-12,15-16H2,1-3H3.

What are the key properties of ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26142237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).