N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide

C34H35FN6O2 — CID 143693229

About N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide

N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide (PubChem CID 143693229) has the molecular formula C34H35FN6O2 and a molecular weight of 578.69 g/mol. Its IUPAC name is N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide.

Molecular Properties

• Compound Name: N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide
• PubChem CID: 143693229
• Molecular Formula: C34H35FN6O2
• Molecular Weight: 578.69 g/mol
• Exact Mass: 578.28
• IUPAC Name: N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide
• SMILES: CNCC(=O)Nc1cnc(-c2cccc(C)c2)n(Cc2cc(N3CCCC3)cc(-n3cc(C)c4cc(F)ccc43)c2)c1=O
• InChI: InChI=1S/C34H35FN6O2/c1-22-7-6-8-25(13-22)33-37-18-30(38-32(42)19-36-3)34(43)41(33)21-24-14-27(39-11-4-5-12-39)17-28(15-24)40-20-23(2)29-16-26(35)9-10-31(29)40/h6-10,13-18,20,36H,4-5,11-12,19,21H2,1-3H3,(H,38,42)
• InChIKey: IUEJDDCGWDNUKU-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 84.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.69
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide?

The IUPAC name of N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide (CID 143693229) is N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide.

What is the SMILES notation for N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide?

The canonical SMILES for N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1cnc(-c2cccc(C)c2)n(Cc2cc(N3CCCC3)cc(-n3cc(C)c4cc(F)ccc43)c2)c1=O.

What is the InChIKey of N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide?

The InChIKey is IUEJDDCGWDNUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN6O2/c1-22-7-6-8-25(13-22)33-37-18-30(38-32(42)19-36-3)34(43)41(33)21-24-14-27(39-11-4-5-12-39)17-28(15-24)40-20-23(2)29-16-26(35)9-10-31(29)40/h6-10,13-18,20,36H,4-5,11-12,19,21H2,1-3H3,(H,38,42).

What are the key properties of N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide?

N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide has a molecular weight of 578.69 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[3-(5-fluoro-3-methylindol-1-yl)-5-pyrrolidin-1-ylphenyl]methyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 143693229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).