6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide

C26H23FN8O2 — CID 58686649

About 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 58686649) has the molecular formula C26H23FN8O2 and a molecular weight of 498.52 g/mol. Its IUPAC name is 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide
• PubChem CID: 58686649
• Molecular Formula: C26H23FN8O2
• Molecular Weight: 498.52 g/mol
• Exact Mass: 498.19
• IUPAC Name: 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide
• SMILES: Cc1cc(CNC(=O)c2cc(C(=O)N[C@@H]3c4ccc(-c5nn[nH]n5)cc4CC34CC4)ncn2)ccc1F
• InChI: InChI=1S/C26H23FN8O2/c1-14-8-15(2-5-19(14)27)12-28-24(36)20-10-21(30-13-29-20)25(37)31-22-18-4-3-16(23-32-34-35-33-23)9-17(18)11-26(22)6-7-26/h2-5,8-10,13,22H,6-7,11-12H2,1H3,(H,28,36)(H,31,37)(H,32,33,34,35)/t22-/m1/s1
• InChIKey: DGKYDAMQFGHYJT-JOCHJYFZSA-N
• XLogP: 2.84
• TPSA: 138.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.52
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide?

The IUPAC name of 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide (CID 58686649) is 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide.

What is the SMILES notation for 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide?

The canonical SMILES for 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide is Cc1cc(CNC(=O)c2cc(C(=O)N[C@@H]3c4ccc(-c5nn[nH]n5)cc4CC34CC4)ncn2)ccc1F.

What is the InChIKey of 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide?

The InChIKey is DGKYDAMQFGHYJT-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23FN8O2/c1-14-8-15(2-5-19(14)27)12-28-24(36)20-10-21(30-13-29-20)25(37)31-22-18-4-3-16(23-32-34-35-33-23)9-17(18)11-26(22)6-7-26/h2-5,8-10,13,22H,6-7,11-12H2,1H3,(H,28,36)(H,31,37)(H,32,33,34,35)/t22-/m1/s1.

What are the key properties of 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide?

6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 498.52 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 58686649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).