[3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C19H21F6N5O2 — CID 153311177

IUPAC[3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(C3CC3)nn2CC(F)(F)F)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C19H21F6N5O2/c1-10-7-28(8-12-6-26-16(30(10)12)17(2,32)19(23,24)25)15(31)14-5-13(11-3-4-11)27-29(14)9-18(20,21)22/h5-6,10-11,32H,3-4,7-9H2,1-2H3/t10-,17+/m0/s1
InChIKeyAYTOJFMWRQGYCF-DYZYQPBXSA-N
MW465.40 g/mol
LogP3.51
Rot. Bonds4

About [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

[3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 153311177) has the molecular formula C19H21F6N5O2 and a molecular weight of 465.40 g/mol. Its IUPAC name is [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID153311177
Molecular FormulaC19H21F6N5O2
Molecular Weight465.40 g/mol
Exact Mass465.16
IUPAC Name[3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(C3CC3)nn2CC(F)(F)F)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C19H21F6N5O2/c1-10-7-28(8-12-6-26-16(30(10)12)17(2,32)19(23,24)25)15(31)14-5-13(11-3-4-11)27-29(14)9-18(20,21)22/h5-6,10-11,32H,3-4,7-9H2,1-2H3/t10-,17+/m0/s1
InChIKeyAYTOJFMWRQGYCF-DYZYQPBXSA-N
XLogP3.51
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 153311177) is [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)c2cc(C3CC3)nn2CC(F)(F)F)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is AYTOJFMWRQGYCF-DYZYQPBXSA-N. The full InChI is InChI=1S/C19H21F6N5O2/c1-10-7-28(8-12-6-26-16(30(10)12)17(2,32)19(23,24)25)15(31)14-5-13(11-3-4-11)27-29(14)9-18(20,21)22/h5-6,10-11,32H,3-4,7-9H2,1-2H3/t10-,17+/m0/s1.
What are the key properties of [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
[3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 465.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 153311177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).