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

C24H23F3N6O2 — CID 148524648

IUPAC4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cc3)n(C3CC3)n2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C24H23F3N6O2/c1-14-12-31(13-18-11-29-22(32(14)18)23(2,35)24(25,26)27)21(34)19-9-20(33(30-19)17-7-8-17)16-5-3-15(10-28)4-6-16/h3-6,9,11,14,17,35H,7-8,12-13H2,1-2H3/t14-,23+/m0/s1
InChIKeyMPCBDAXTWLZHRP-LFVRLGFBSA-N
MW484.48 g/mol
LogP3.94
Rot. Bonds4

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

4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile (PubChem CID 148524648) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile
PubChem CID148524648
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cc3)n(C3CC3)n2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C24H23F3N6O2/c1-14-12-31(13-18-11-29-22(32(14)18)23(2,35)24(25,26)27)21(34)19-9-20(33(30-19)17-7-8-17)16-5-3-15(10-28)4-6-16/h3-6,9,11,14,17,35H,7-8,12-13H2,1-2H3/t14-,23+/m0/s1
InChIKeyMPCBDAXTWLZHRP-LFVRLGFBSA-N
XLogP3.94
TPSA99.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile with MolForge

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Related Compounds

4-N-(2-fluoroethyl)-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
CID 165414915
4-N-cyclopropyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
CID 165414894
N-cyclopropyl-2-fluoro-4-[8-[(2-methylpyrazol-3-yl)methylamino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57407260
US10800784, Example 19
CID 146781756
US10800784, Example 16
CID 146800392
US10800784, Example 79
CID 146924442
US10800784, Example 67
CID 147044677
US10800784, Example 54
CID 147069653
US10800784, Example 73
CID 147087952
US10800784, Example 40
CID 147117578
US10800784, Example 58
CID 147205052
US10800784, Example 96
CID 147298399

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile?
The IUPAC name of 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile (CID 148524648) is 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile?
The canonical SMILES for 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile is C[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cc3)n(C3CC3)n2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile?
The InChIKey is MPCBDAXTWLZHRP-LFVRLGFBSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-14-12-31(13-18-11-29-22(32(14)18)23(2,35)24(25,26)27)21(34)19-9-20(33(30-19)17-7-8-17)16-5-3-15(10-28)4-6-16/h3-6,9,11,14,17,35H,7-8,12-13H2,1-2H3/t14-,23+/m0/s1.
What are the key properties of 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile?
4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile has a molecular weight of 484.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile is sourced from PubChem (CID 148524648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).