N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C24H24FN7O2 — CID 123529128

About N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 123529128) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• PubChem CID: 123529128
• Molecular Formula: C24H24FN7O2
• Molecular Weight: 461.50 g/mol
• Exact Mass: 461.20
• IUPAC Name: N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• SMILES: CCC1NC(C)C=C1c1cnc2nc(-c3cc(NC(=O)c4oc(C)nc4C)ccc3F)nn2c1
• InChI: InChI=1S/C24H24FN7O2/c1-5-20-17(8-12(2)27-20)15-10-26-24-30-22(31-32(24)11-15)18-9-16(6-7-19(18)25)29-23(33)21-13(3)28-14(4)34-21/h6-12,20,27H,5H2,1-4H3,(H,29,33)
• InChIKey: ZCRRZFNUCGYVDS-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 110.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.50
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 123529128) is N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is CCC1NC(C)C=C1c1cnc2nc(-c3cc(NC(=O)c4oc(C)nc4C)ccc3F)nn2c1.

What is the InChIKey of N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

The InChIKey is ZCRRZFNUCGYVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-5-20-17(8-12(2)27-20)15-10-26-24-30-22(31-32(24)11-15)18-9-16(6-7-19(18)25)29-23(33)21-13(3)28-14(4)34-21/h6-12,20,27H,5H2,1-4H3,(H,29,33).

What are the key properties of N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-(2-ethyl-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 123529128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).