5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

C31H31F2N5O4 — CID 145475223

About 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 145475223) has the molecular formula C31H31F2N5O4 and a molecular weight of 575.62 g/mol. Its IUPAC name is 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
• PubChem CID: 145475223
• Molecular Formula: C31H31F2N5O4
• Molecular Weight: 575.62 g/mol
• Exact Mass: 575.23
• IUPAC Name: 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
• SMILES: CCC(C)N1C(=O)N(CC(=O)Nc2ccc3c(c2)CC(C(=O)Nc2ccccn2)C3)C(C)(c2cc(F)cc(F)c2)C1=O
• InChI: InChI=1S/C31H31F2N5O4/c1-4-18(2)38-29(41)31(3,22-14-23(32)16-24(33)15-22)37(30(38)42)17-27(39)35-25-9-8-19-11-21(12-20(19)13-25)28(40)36-26-7-5-6-10-34-26/h5-10,13-16,18,21H,4,11-12,17H2,1-3H3,(H,35,39)(H,34,36,40)
• InChIKey: UIKMWTMLKMLVLD-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.62
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

The IUPAC name of 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (CID 145475223) is 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

What is the SMILES notation for 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

The canonical SMILES for 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is CCC(C)N1C(=O)N(CC(=O)Nc2ccc3c(c2)CC(C(=O)Nc2ccccn2)C3)C(C)(c2cc(F)cc(F)c2)C1=O.

What is the InChIKey of 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

The InChIKey is UIKMWTMLKMLVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N5O4/c1-4-18(2)38-29(41)31(3,22-14-23(32)16-24(33)15-22)37(30(38)42)17-27(39)35-25-9-8-19-11-21(12-20(19)13-25)28(40)36-26-7-5-6-10-34-26/h5-10,13-16,18,21H,4,11-12,17H2,1-3H3,(H,35,39)(H,34,36,40).

What are the key properties of 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 575.62 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[3-butan-2-yl-5-(3,5-difluorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 145475223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).