6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

C25H20F4N8O4 — CID 11642670

About 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 11642670) has the molecular formula C25H20F4N8O4 and a molecular weight of 572.48 g/mol. Its IUPAC name is 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• PubChem CID: 11642670
• Molecular Formula: C25H20F4N8O4
• Molecular Weight: 572.48 g/mol
• Exact Mass: 572.15
• IUPAC Name: 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• SMILES: Cn1nnn(-c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(OC(F)(F)F)c3)ncn2)c1=O
• InChI: InChI=1S/C25H20F4N8O4/c1-36-24(40)37(35-34-36)15-4-5-16-14(9-15)3-7-18(16)33-23(39)20-10-19(31-12-32-20)22(38)30-11-13-2-6-17(26)21(8-13)41-25(27,28)29/h2,4-6,8-10,12,18H,3,7,11H2,1H3,(H,30,38)(H,33,39)/t18-/m0/s1
• InChIKey: CFDONCASWBFMFR-SFHVURJKSA-N
• XLogP: 2.14
• TPSA: 145.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.48
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

The IUPAC name of 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (CID 11642670) is 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

What is the SMILES notation for 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

The canonical SMILES for 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is Cn1nnn(-c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(OC(F)(F)F)c3)ncn2)c1=O.

What is the InChIKey of 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

The InChIKey is CFDONCASWBFMFR-SFHVURJKSA-N. The full InChI is InChI=1S/C25H20F4N8O4/c1-36-24(40)37(35-34-36)15-4-5-16-14(9-15)3-7-18(16)33-23(39)20-10-19(31-12-32-20)22(38)30-11-13-2-6-17(26)21(8-13)41-25(27,28)29/h2,4-6,8-10,12,18H,3,7,11H2,1H3,(H,30,38)(H,33,39)/t18-/m0/s1.

What are the key properties of 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 572.48 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1S)-5-(4-methyl-5-oxotetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 11642670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).