4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

C18H23N5O3 — CID 97461885

About 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (PubChem CID 97461885) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
• PubChem CID: 97461885
• Molecular Formula: C18H23N5O3
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.18
• IUPAC Name: 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
• SMILES: CCc1ccc(CN2CCc3[nH]nc(C(=O)N4CCNC(=O)C4)c3C2)o1
• InChI: InChI=1S/C18H23N5O3/c1-2-12-3-4-13(26-12)9-22-7-5-15-14(10-22)17(21-20-15)18(25)23-8-6-19-16(24)11-23/h3-4H,2,5-11H2,1H3,(H,19,24)(H,20,21)
• InChIKey: DCBCLVZYWDQRCH-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 94.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

The IUPAC name of 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (CID 97461885) is 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

What is the SMILES notation for 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

The canonical SMILES for 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is CCc1ccc(CN2CCc3[nH]nc(C(=O)N4CCNC(=O)C4)c3C2)o1.

What is the InChIKey of 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

The InChIKey is DCBCLVZYWDQRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-2-12-3-4-13(26-12)9-22-7-5-15-14(10-22)17(21-20-15)18(25)23-8-6-19-16(24)11-23/h3-4H,2,5-11H2,1H3,(H,19,24)(H,20,21).

What are the key properties of 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 357.41 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 97461885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).