1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone

C23H25F3N6O2 — CID 167573468

IUPAC1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone
SMILESCCOc1cc([C@@](C)(F)C(F)(F)c2nncn2C)cc(CC(=O)c2cc(C)nc(C3CC3)n2)n1
InChIInChI=1S/C23H25F3N6O2/c1-5-34-19-10-15(22(3,24)23(25,26)21-31-27-12-32(21)4)9-16(29-19)11-18(33)17-8-13(2)28-20(30-17)14-6-7-14/h8-10,12,14H,5-7,11H2,1-4H3/t22-/m1/s1
InChIKeyGFHMBASGZDFVQR-JOCHJYFZSA-N
MW474.49 g/mol
LogP3.99
Rot. Bonds9

About 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone

1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone (PubChem CID 167573468) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone
PubChem CID167573468
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone
SMILESCCOc1cc([C@@](C)(F)C(F)(F)c2nncn2C)cc(CC(=O)c2cc(C)nc(C3CC3)n2)n1
InChIInChI=1S/C23H25F3N6O2/c1-5-34-19-10-15(22(3,24)23(25,26)21-31-27-12-32(21)4)9-16(29-19)11-18(33)17-8-13(2)28-20(30-17)14-6-7-14/h8-10,12,14H,5-7,11H2,1-4H3/t22-/m1/s1
InChIKeyGFHMBASGZDFVQR-JOCHJYFZSA-N
XLogP3.99
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone (CID 167573468) is 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone is CCOc1cc([C@@](C)(F)C(F)(F)c2nncn2C)cc(CC(=O)c2cc(C)nc(C3CC3)n2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone?
The InChIKey is GFHMBASGZDFVQR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-5-34-19-10-15(22(3,24)23(25,26)21-31-27-12-32(21)4)9-16(29-19)11-18(33)17-8-13(2)28-20(30-17)14-6-7-14/h8-10,12,14H,5-7,11H2,1-4H3/t22-/m1/s1.
What are the key properties of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone?
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone has a molecular weight of 474.49 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-[6-ethoxy-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 167573468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).