(3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone

C18H21F3N4O3 — CID 153311259

IUPAC(3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(C3CC3)nn2C)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C18H21F3N4O3/c1-9-7-25(16(26)12-6-11(10-4-5-10)22-24(12)3)8-13-14(9)15(23-28-13)17(2,27)18(19,20)21/h6,9-10,27H,4-5,7-8H2,1-3H3/t9-,17+/m0/s1
InChIKeyZKIGCOOJJXCDGU-HUTHGQBESA-N
MW398.39 g/mol
LogP2.81
Rot. Bonds3

About (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone

(3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 153311259) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID153311259
Molecular FormulaC18H21F3N4O3
Molecular Weight398.39 g/mol
Exact Mass398.16
IUPAC Name(3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(C3CC3)nn2C)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C18H21F3N4O3/c1-9-7-25(16(26)12-6-11(10-4-5-10)22-24(12)3)8-13-14(9)15(23-28-13)17(2,27)18(19,20)21/h6,9-10,27H,4-5,7-8H2,1-3H3/t9-,17+/m0/s1
InChIKeyZKIGCOOJJXCDGU-HUTHGQBESA-N
XLogP2.81
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone (CID 153311259) is (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone is C[C@H]1CN(C(=O)c2cc(C3CC3)nn2C)Cc2onc([C@@](C)(O)C(F)(F)F)c21.
What is the InChIKey of (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is ZKIGCOOJJXCDGU-HUTHGQBESA-N. The full InChI is InChI=1S/C18H21F3N4O3/c1-9-7-25(16(26)12-6-11(10-4-5-10)22-24(12)3)8-13-14(9)15(23-28-13)17(2,27)18(19,20)21/h6,9-10,27H,4-5,7-8H2,1-3H3/t9-,17+/m0/s1.
What are the key properties of (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
(3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 398.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-methylpyrazol-5-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 153311259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).