1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one

C30H36N6O4 — CID 141370658

About 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one

1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one (PubChem CID 141370658) has the molecular formula C30H36N6O4 and a molecular weight of 544.66 g/mol. Its IUPAC name is 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one
• PubChem CID: 141370658
• Molecular Formula: C30H36N6O4
• Molecular Weight: 544.66 g/mol
• Exact Mass: 544.28
• IUPAC Name: 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one
• SMILES: CC(=O)N1CCN(c2cc([C@@H]3C(=O)NCC3C)ccc2C(=O)N2CCN(c3ncc(C4CC4)cc3C)CC2)C1=O
• InChI: InChI=1S/C30H36N6O4/c1-18-14-23(21-4-5-21)17-31-27(18)33-8-10-34(11-9-33)29(39)24-7-6-22(26-19(2)16-32-28(26)38)15-25(24)36-13-12-35(20(3)37)30(36)40/h6-7,14-15,17,19,21,26H,4-5,8-13,16H2,1-3H3,(H,32,38)/t19?,26-/m1/s1
• InChIKey: CBZMTDPKSLBHEI-COTLDPOVSA-N
• XLogP: 2.87
• TPSA: 106.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.66
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one?

The IUPAC name of 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one (CID 141370658) is 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one?

The canonical SMILES for 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one is CC(=O)N1CCN(c2cc([C@@H]3C(=O)NCC3C)ccc2C(=O)N2CCN(c3ncc(C4CC4)cc3C)CC2)C1=O.

What is the InChIKey of 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one?

The InChIKey is CBZMTDPKSLBHEI-COTLDPOVSA-N. The full InChI is InChI=1S/C30H36N6O4/c1-18-14-23(21-4-5-21)17-31-27(18)33-8-10-34(11-9-33)29(39)24-7-6-22(26-19(2)16-32-28(26)38)15-25(24)36-13-12-35(20(3)37)30(36)40/h6-7,14-15,17,19,21,26H,4-5,8-13,16H2,1-3H3,(H,32,38)/t19?,26-/m1/s1.

What are the key properties of 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one?

1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 544.66 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 141370658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).