4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

C27H33N5O3 — CID 26133114

About 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (PubChem CID 26133114) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
• PubChem CID: 26133114
• Molecular Formula: C27H33N5O3
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.26
• IUPAC Name: 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
• SMILES: O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(C(=O)[C@@H]2CC24CCCCC4)CC3)CCN1
• InChI: InChI=1S/C27H33N5O3/c33-23-18-31(14-12-28-23)26(35)24-20-17-30(25(34)21-15-27(21)10-5-2-6-11-27)13-9-22(20)32(29-24)16-19-7-3-1-4-8-19/h1,3-4,7-8,21H,2,5-6,9-18H2,(H,28,33)/t21-/m0/s1
• InChIKey: DDQNRTCLAGRXFY-NRFANRHFSA-N
• XLogP: 2.36
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

The IUPAC name of 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (CID 26133114) is 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

What is the SMILES notation for 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

The canonical SMILES for 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(C(=O)[C@@H]2CC24CCCCC4)CC3)CCN1.

What is the InChIKey of 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

The InChIKey is DDQNRTCLAGRXFY-NRFANRHFSA-N. The full InChI is InChI=1S/C27H33N5O3/c33-23-18-31(14-12-28-23)26(35)24-20-17-30(25(34)21-15-27(21)10-5-2-6-11-27)13-9-22(20)32(29-24)16-19-7-3-1-4-8-19/h1,3-4,7-8,21H,2,5-6,9-18H2,(H,28,33)/t21-/m0/s1.

What are the key properties of 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 475.59 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 26133114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).