3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile

C19H21F3N6O2 — CID 146781756

IUPAC3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile
SMILESC[C@H]1CN(C(=O)c2c(C#N)c(C3CC3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C19H21F3N6O2/c1-10-8-27(9-12-7-24-17(28(10)12)18(2,30)19(20,21)22)16(29)15-13(6-23)14(11-4-5-11)25-26(15)3/h7,10-11,30H,4-5,8-9H2,1-3H3/t10-,18+/m0/s1
InChIKeyRTUUAFNLMNJFGH-XTZNXHDOSA-N
MW422.41 g/mol
LogP2.35
Rot. Bonds3

About 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile

3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile (PubChem CID 146781756) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile
PubChem CID146781756
Molecular FormulaC19H21F3N6O2
Molecular Weight422.41 g/mol
Exact Mass422.17
IUPAC Name3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile
SMILESC[C@H]1CN(C(=O)c2c(C#N)c(C3CC3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C19H21F3N6O2/c1-10-8-27(9-12-7-24-17(28(10)12)18(2,30)19(20,21)22)16(29)15-13(6-23)14(11-4-5-11)25-26(15)3/h7,10-11,30H,4-5,8-9H2,1-3H3/t10-,18+/m0/s1
InChIKeyRTUUAFNLMNJFGH-XTZNXHDOSA-N
XLogP2.35
TPSA99.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile?
The IUPAC name of 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile (CID 146781756) is 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile?
The canonical SMILES for 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile is C[C@H]1CN(C(=O)c2c(C#N)c(C3CC3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile?
The InChIKey is RTUUAFNLMNJFGH-XTZNXHDOSA-N. The full InChI is InChI=1S/C19H21F3N6O2/c1-10-8-27(9-12-7-24-17(28(10)12)18(2,30)19(20,21)22)16(29)15-13(6-23)14(11-4-5-11)25-26(15)3/h7,10-11,30H,4-5,8-9H2,1-3H3/t10-,18+/m0/s1.
What are the key properties of 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile?
3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile has a molecular weight of 422.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 146781756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).