6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

C28H27FN6O4 — CID 58686837

About 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 58686837) has the molecular formula C28H27FN6O4 and a molecular weight of 530.56 g/mol. Its IUPAC name is 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• PubChem CID: 58686837
• Molecular Formula: C28H27FN6O4
• Molecular Weight: 530.56 g/mol
• Exact Mass: 530.21
• IUPAC Name: 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• SMILES: C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc(OC)n2)NO1
• InChI: InChI=1S/C28H27FN6O4/c1-14-11-17(5-9-21(14)29)13-30-26(36)23-12-24(34-28(33-23)38-4)27(37)32-22-10-8-18-15(2)19(6-7-20(18)22)25-31-16(3)39-35-25/h5-7,9,11-12,22H,3,8,10,13H2,1-2,4H3,(H,30,36)(H,31,35)(H,32,37)/t22-/m0/s1
• InChIKey: FNFDHLLGUJADEL-QFIPXVFZSA-N
• XLogP: 3.34
• TPSA: 126.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.56
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (CID 58686837) is 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

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

The canonical SMILES for 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc(OC)n2)NO1.

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

The InChIKey is FNFDHLLGUJADEL-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H27FN6O4/c1-14-11-17(5-9-21(14)29)13-30-26(36)23-12-24(34-28(33-23)38-4)27(37)32-22-10-8-18-15(2)19(6-7-20(18)22)25-31-16(3)39-35-25/h5-7,9,11-12,22H,3,8,10,13H2,1-2,4H3,(H,30,36)(H,31,35)(H,32,37)/t22-/m0/s1.

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

6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 530.56 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 58686837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).