4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid

C19H18N4O2 — CID 110458993

About 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid

4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid (PubChem CID 110458993) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid.

Molecular Properties

• Compound Name: 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid
• PubChem CID: 110458993
• Molecular Formula: C19H18N4O2
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.14
• IUPAC Name: 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid
• SMILES: O=C(O)c1ccc(Cn2nc(-c3cccnc3)c3c2CCNC3)cc1
• InChI: InChI=1S/C19H18N4O2/c24-19(25)14-5-3-13(4-6-14)12-23-17-7-9-21-11-16(17)18(22-23)15-2-1-8-20-10-15/h1-6,8,10,21H,7,9,11-12H2,(H,24,25)
• InChIKey: DRVICZMXBNGETG-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid?

The IUPAC name of 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid (CID 110458993) is 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid.

What is the SMILES notation for 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid?

The canonical SMILES for 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid is O=C(O)c1ccc(Cn2nc(-c3cccnc3)c3c2CCNC3)cc1.

What is the InChIKey of 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid?

The InChIKey is DRVICZMXBNGETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(25)14-5-3-13(4-6-14)12-23-17-7-9-21-11-16(17)18(22-23)15-2-1-8-20-10-15/h1-6,8,10,21H,7,9,11-12H2,(H,24,25).

What are the key properties of 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid?

4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid has a molecular weight of 334.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 110458993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).