(1,3-dicyclopropylpyrazol-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

C20H24F3N5O2 — CID 153311239

IUPAC(1,3-dicyclopropylpyrazol-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)nn2C2CC2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C20H24F3N5O2/c1-11-9-26(10-14-8-24-18(27(11)14)19(2,30)20(21,22)23)17(29)16-7-15(12-3-4-12)25-28(16)13-5-6-13/h7-8,11-13,30H,3-6,9-10H2,1-2H3/t11-,19+/m0/s1
InChIKeyYXRUPTXNZBVUOR-JEOXALJRSA-N
MW423.44 g/mol
LogP3.28
Rot. Bonds4

About (1,3-dicyclopropylpyrazol-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

(1,3-dicyclopropylpyrazol-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 153311239) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is (1,3-dicyclopropylpyrazol-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(1,3-dicyclopropylpyrazol-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 CID153311239
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name(1,3-dicyclopropylpyrazol-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)nn2C2CC2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C20H24F3N5O2/c1-11-9-26(10-14-8-24-18(27(11)14)19(2,30)20(21,22)23)17(29)16-7-15(12-3-4-12)25-28(16)13-5-6-13/h7-8,11-13,30H,3-6,9-10H2,1-2H3/t11-,19+/m0/s1
InChIKeyYXRUPTXNZBVUOR-JEOXALJRSA-N
XLogP3.28
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1,3-dicyclopropylpyrazol-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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Related Compounds

US10800784, Example 19
CID 146781756
US10800784, Example 16
CID 146800392
US10800784, Example 15
CID 147497583
US10800784, Example 53
CID 148524648
US10800784, Example 37
CID 149248806
US10800784, Example 123
CID 153311172
US10800784, Example 36
CID 153311177
US10800784, Example 81
CID 153311190
US10800784, Example 47
CID 153311194
US10800784, Example 22
CID 153311210
US10800784, Example 35
CID 153311231
US10800784, Example 32
CID 153311238

Frequently Asked Questions

What is the IUPAC name of (1,3-dicyclopropylpyrazol-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 (1,3-dicyclopropylpyrazol-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 153311239) is (1,3-dicyclopropylpyrazol-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 (1,3-dicyclopropylpyrazol-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 (1,3-dicyclopropylpyrazol-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)nn2C2CC2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of (1,3-dicyclopropylpyrazol-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 YXRUPTXNZBVUOR-JEOXALJRSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-11-9-26(10-14-8-24-18(27(11)14)19(2,30)20(21,22)23)17(29)16-7-15(12-3-4-12)25-28(16)13-5-6-13/h7-8,11-13,30H,3-6,9-10H2,1-2H3/t11-,19+/m0/s1.
What are the key properties of (1,3-dicyclopropylpyrazol-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?
(1,3-dicyclopropylpyrazol-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 423.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dicyclopropylpyrazol-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 153311239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).