(4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C25H25FN6O3 — CID 159301478

About (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

(4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 159301478) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
• PubChem CID: 159301478
• Molecular Formula: C25H25FN6O3
• Molecular Weight: 476.51 g/mol
• Exact Mass: 476.20
• IUPAC Name: (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
• SMILES: Cc1cc(CN)ccc1F.Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)O)nc2ncnn12
• InChI: InChI=1S/C17H15N5O3.C8H10FN/c1-9-2-4-11-10(6-9)3-5-12(11)20-15(23)14-7-13(16(24)25)21-17-18-8-19-22(14)17;1-6-4-7(5-10)2-3-8(6)9/h2,4,6-8,12H,3,5H2,1H3,(H,20,23)(H,24,25);2-4H,5,10H2,1H3/t12-;/m0./s1
• InChIKey: LBJVDMFVTFTODB-YDALLXLXSA-N
• XLogP: 3.14
• TPSA: 135.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.51
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?

The IUPAC name of (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 159301478) is (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

What is the SMILES notation for (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?

The canonical SMILES for (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cc(CN)ccc1F.Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)O)nc2ncnn12.

What is the InChIKey of (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?

The InChIKey is LBJVDMFVTFTODB-YDALLXLXSA-N. The full InChI is InChI=1S/C17H15N5O3.C8H10FN/c1-9-2-4-11-10(6-9)3-5-12(11)20-15(23)14-7-13(16(24)25)21-17-18-8-19-22(14)17;1-6-4-7(5-10)2-3-8(6)9/h2,4,6-8,12H,3,5H2,1H3,(H,20,23)(H,24,25);2-4H,5,10H2,1H3/t12-;/m0./s1.

What are the key properties of (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?

(4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 476.51 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluoro-3-methylphenyl)methanamine;7-[[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 159301478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).