5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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

C17H19F3N4O3 — CID 147962027

IUPAC5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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)c2cc3n(n2)CCC3)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C17H19F3N4O3/c1-9-7-23(15(25)11-6-10-4-3-5-24(10)21-11)8-12-13(9)14(22-27-12)16(2,26)17(18,19)20/h6,9,26H,3-5,7-8H2,1-2H3/t9-,16+/m0/s1
InChIKeyIPRDTYTVGQVNPC-XXFAHNHDSA-N
MW384.36 g/mol
LogP2.35
Rot. Bonds2

About 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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

5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 147962027) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 Name5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 CID147962027
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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)c2cc3n(n2)CCC3)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C17H19F3N4O3/c1-9-7-23(15(25)11-6-10-4-3-5-24(10)21-11)8-12-13(9)14(22-27-12)16(2,26)17(18,19)20/h6,9,26H,3-5,7-8H2,1-2H3/t9-,16+/m0/s1
InChIKeyIPRDTYTVGQVNPC-XXFAHNHDSA-N
XLogP2.35
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 147962027) is 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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)c2cc3n(n2)CCC3)Cc2onc([C@@](C)(O)C(F)(F)F)c21.
What is the InChIKey of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 IPRDTYTVGQVNPC-XXFAHNHDSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-9-7-23(15(25)11-6-10-4-3-5-24(10)21-11)8-12-13(9)14(22-27-12)16(2,26)17(18,19)20/h6,9,26H,3-5,7-8H2,1-2H3/t9-,16+/m0/s1.
What are the key properties of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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?
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 384.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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 147962027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).