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

C26H33N5O3 — CID 26133109

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

4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (PubChem CID 26133109) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
• PubChem CID: 26133109
• Molecular Formula: C26H33N5O3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: 4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
• SMILES: CCC1(CC)C[C@H]1C(=O)N1CCc2c(c(C(=O)N3CCNC(=O)C3)nn2Cc2ccccc2)C1
• InChI: InChI=1S/C26H33N5O3/c1-3-26(4-2)14-20(26)24(33)29-12-10-21-19(16-29)23(25(34)30-13-11-27-22(32)17-30)28-31(21)15-18-8-6-5-7-9-18/h5-9,20H,3-4,10-17H2,1-2H3,(H,27,32)/t20-/m0/s1
• InChIKey: LUQKGXDIQNTFLY-FQEVSTJZSA-N
• XLogP: 2.21
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (CID 26133109) is 4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

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

The canonical SMILES for 4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is CCC1(CC)C[C@H]1C(=O)N1CCc2c(c(C(=O)N3CCNC(=O)C3)nn2Cc2ccccc2)C1.

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

The InChIKey is LUQKGXDIQNTFLY-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-3-26(4-2)14-20(26)24(33)29-12-10-21-19(16-29)23(25(34)30-13-11-27-22(32)17-30)28-31(21)15-18-8-6-5-7-9-18/h5-9,20H,3-4,10-17H2,1-2H3,(H,27,32)/t20-/m0/s1.

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

4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 463.58 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 26133109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).