3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride

C24H28ClFN4O2 — CID 141370862

About 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride

3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride (PubChem CID 141370862) has the molecular formula C24H28ClFN4O2 and a molecular weight of 458.97 g/mol. Its IUPAC name is 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

• Compound Name: 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride
• PubChem CID: 141370862
• Molecular Formula: C24H28ClFN4O2
• Molecular Weight: 458.97 g/mol
• Exact Mass: 458.19
• IUPAC Name: 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride
• SMILES: Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(C3CCNC3=O)cc2F)CC1.Cl
• InChI: InChI=1S/C24H27FN4O2.ClH/c1-15-12-18(16-2-3-16)14-27-22(15)28-8-10-29(11-9-28)24(31)20-5-4-17(13-21(20)25)19-6-7-26-23(19)30;/h4-5,12-14,16,19H,2-3,6-11H2,1H3,(H,26,30);1H
• InChIKey: CMUYZNVVMWIUGH-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.97
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride?

The IUPAC name of 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride (CID 141370862) is 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride.

What is the SMILES notation for 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride?

The canonical SMILES for 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride is Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(C3CCNC3=O)cc2F)CC1.Cl.

What is the InChIKey of 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride?

The InChIKey is CMUYZNVVMWIUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2.ClH/c1-15-12-18(16-2-3-16)14-27-22(15)28-8-10-29(11-9-28)24(31)20-5-4-17(13-21(20)25)19-6-7-26-23(19)30;/h4-5,12-14,16,19H,2-3,6-11H2,1H3,(H,26,30);1H.

What are the key properties of 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride?

3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 458.97 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 141370862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).