1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C21H25N5O2S — CID 26219419

About 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26219419) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26219419
• Molecular Formula: C21H25N5O2S
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.17
• IUPAC Name: 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COCCn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1ccsc1)C2
• InChI: InChI=1S/C21H25N5O2S/c1-28-9-8-26-19-4-7-25(13-17-5-10-29-15-17)14-18(19)20(24-26)21(27)23-12-16-3-2-6-22-11-16/h2-3,5-6,10-11,15H,4,7-9,12-14H2,1H3,(H,23,27)
• InChIKey: DPUCZAXTKAFSFO-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26219419) is 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COCCn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1ccsc1)C2.

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

The InChIKey is DPUCZAXTKAFSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-28-9-8-26-19-4-7-25(13-17-5-10-29-15-17)14-18(19)20(24-26)21(27)23-12-16-3-2-6-22-11-16/h2-3,5-6,10-11,15H,4,7-9,12-14H2,1H3,(H,23,27).

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

1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26219419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).