(2-cyclopropylpyrimidin-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

C18H20F3N5O2 — CID 153311217

IUPAC(2-cyclopropylpyrimidin-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)c2cnc(C3CC3)nc2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C18H20F3N5O2/c1-10-8-25(15(27)12-5-22-14(23-6-12)11-3-4-11)9-13-7-24-16(26(10)13)17(2,28)18(19,20)21/h5-7,10-11,28H,3-4,8-9H2,1-2H3/t10-,17+/m0/s1
InChIKeyKIULKJPSEKEYSN-DYZYQPBXSA-N
MW395.39 g/mol
LogP2.54
Rot. Bonds3

About (2-cyclopropylpyrimidin-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

(2-cyclopropylpyrimidin-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 153311217) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-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(2-cyclopropylpyrimidin-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 CID153311217
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name(2-cyclopropylpyrimidin-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)c2cnc(C3CC3)nc2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C18H20F3N5O2/c1-10-8-25(15(27)12-5-22-14(23-6-12)11-3-4-11)9-13-7-24-16(26(10)13)17(2,28)18(19,20)21/h5-7,10-11,28H,3-4,8-9H2,1-2H3/t10-,17+/m0/s1
InChIKeyKIULKJPSEKEYSN-DYZYQPBXSA-N
XLogP2.54
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-cyclopropylpyrimidin-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-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 (2-cyclopropylpyrimidin-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 153311217) is (2-cyclopropylpyrimidin-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 (2-cyclopropylpyrimidin-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 (2-cyclopropylpyrimidin-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)c2cnc(C3CC3)nc2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of (2-cyclopropylpyrimidin-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 KIULKJPSEKEYSN-DYZYQPBXSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-10-8-25(15(27)12-5-22-14(23-6-12)11-3-4-11)9-13-7-24-16(26(10)13)17(2,28)18(19,20)21/h5-7,10-11,28H,3-4,8-9H2,1-2H3/t10-,17+/m0/s1.
What are the key properties of (2-cyclopropylpyrimidin-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?
(2-cyclopropylpyrimidin-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 395.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-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 153311217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).