1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H21N5O3 — CID 56723345

About 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56723345) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 56723345
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1nn(CCCc2cccnc2)c2c1CN(C(=O)c1ccc[nH]1)CC2
• InChI: InChI=1S/C20H21N5O3/c26-19(16-6-2-9-22-16)24-11-7-17-15(13-24)18(20(27)28)23-25(17)10-3-5-14-4-1-8-21-12-14/h1-2,4,6,8-9,12,22H,3,5,7,10-11,13H2,(H,27,28)
• InChIKey: WMFGMMOSQCROAC-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 104.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The IUPAC name of 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56723345) is 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

What is the SMILES notation for 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The canonical SMILES for 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(CCCc2cccnc2)c2c1CN(C(=O)c1ccc[nH]1)CC2.

What is the InChIKey of 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The InChIKey is WMFGMMOSQCROAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-19(16-6-2-9-22-16)24-11-7-17-15(13-24)18(20(27)28)23-25(17)10-3-5-14-4-1-8-21-12-14/h1-2,4,6,8-9,12,22H,3,5,7,10-11,13H2,(H,27,28).

What are the key properties of 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56723345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).