(2-cyclopropyl-4-pyridinyl)-[(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

C19H21F3N4O2 — CID 147298399

IUPAC(2-cyclopropyl-4-pyridinyl)-[(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)c2ccnc(C3CC3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C19H21F3N4O2/c1-11-9-25(16(27)13-5-6-23-15(7-13)12-3-4-12)10-14-8-24-17(26(11)14)18(2,28)19(20,21)22/h5-8,11-12,28H,3-4,9-10H2,1-2H3/t11-,18+/m0/s1
InChIKeyCVORHJZOOUPQIJ-BBATYDOGSA-N
MW394.40 g/mol
LogP3.14
Rot. Bonds3

About (2-cyclopropyl-4-pyridinyl)-[(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-cyclopropyl-4-pyridinyl)-[(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 147298399) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is (2-cyclopropyl-4-pyridinyl)-[(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-cyclopropyl-4-pyridinyl)-[(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 CID147298399
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name(2-cyclopropyl-4-pyridinyl)-[(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)c2ccnc(C3CC3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C19H21F3N4O2/c1-11-9-25(16(27)13-5-6-23-15(7-13)12-3-4-12)10-14-8-24-17(26(11)14)18(2,28)19(20,21)22/h5-8,11-12,28H,3-4,9-10H2,1-2H3/t11-,18+/m0/s1
InChIKeyCVORHJZOOUPQIJ-BBATYDOGSA-N
XLogP3.14
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-pyridinyl)-[(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-cyclopropyl-4-pyridinyl)-[(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 147298399) is (2-cyclopropyl-4-pyridinyl)-[(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-cyclopropyl-4-pyridinyl)-[(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-cyclopropyl-4-pyridinyl)-[(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)c2ccnc(C3CC3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of (2-cyclopropyl-4-pyridinyl)-[(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 CVORHJZOOUPQIJ-BBATYDOGSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-11-9-25(16(27)13-5-6-23-15(7-13)12-3-4-12)10-14-8-24-17(26(11)14)18(2,28)19(20,21)22/h5-8,11-12,28H,3-4,9-10H2,1-2H3/t11-,18+/m0/s1.
What are the key properties of (2-cyclopropyl-4-pyridinyl)-[(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-cyclopropyl-4-pyridinyl)-[(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 394.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-pyridinyl)-[(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 147298399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).