N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide

C23H21FN4O — CID 129309552

About N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide

N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide (PubChem CID 129309552) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide
• PubChem CID: 129309552
• Molecular Formula: C23H21FN4O
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.17
• IUPAC Name: N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide
• SMILES: CC(=O)NCc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
• InChI: InChI=1S/C23H21FN4O/c1-15(29)25-11-16-6-7-19-21(10-16)28(14-23(19)8-9-23)22-26-12-17(13-27-22)18-4-2-3-5-20(18)24/h2-7,10,12-13H,8-9,11,14H2,1H3,(H,25,29)
• InChIKey: RLVKURMHUMDGOO-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide?

The IUPAC name of N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide (CID 129309552) is N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide.

What is the SMILES notation for N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide?

The canonical SMILES for N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide is CC(=O)NCc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1.

What is the InChIKey of N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide?

The InChIKey is RLVKURMHUMDGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-15(29)25-11-16-6-7-19-21(10-16)28(14-23(19)8-9-23)22-26-12-17(13-27-22)18-4-2-3-5-20(18)24/h2-7,10,12-13H,8-9,11,14H2,1H3,(H,25,29).

What are the key properties of N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide?

N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide has a molecular weight of 388.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide is sourced from PubChem (CID 129309552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).