[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone

C22H19N5O — CID 126437773

IUPAC[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cnnc1)N1CCn2cccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H19N5O/c28-22(18-9-4-5-10-19(18)26-15-23-24-16-26)27-14-13-25-12-6-11-20(25)21(27)17-7-2-1-3-8-17/h1-12,15-16,21H,13-14H2/t21-/m0/s1
InChIKeyUDVTXJUFQVBUKY-NRFANRHFSA-N
MW369.43 g/mol
LogP3.31
Rot. Bonds3

About [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone

[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 126437773) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID126437773
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cnnc1)N1CCn2cccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H19N5O/c28-22(18-9-4-5-10-19(18)26-15-23-24-16-26)27-14-13-25-12-6-11-20(25)21(27)17-7-2-1-3-8-17/h1-12,15-16,21H,13-14H2/t21-/m0/s1
InChIKeyUDVTXJUFQVBUKY-NRFANRHFSA-N
XLogP3.31
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1H-pyridin-2-one
CID 94813645
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 97081794
(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 71931138
[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-naphthalen-1-ylmethanone
CID 3318812
(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698
(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 51093120
[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
CID 93304342
[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115137
[1-(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methoxyphenyl)methanone
CID 24859702
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 55557469

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone (CID 126437773) is [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone is O=C(c1ccccc1-n1cnnc1)N1CCn2cccc2[C@@H]1c1ccccc1.
What is the InChIKey of [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is UDVTXJUFQVBUKY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19N5O/c28-22(18-9-4-5-10-19(18)26-15-23-24-16-26)27-14-13-25-12-6-11-20(25)21(27)17-7-2-1-3-8-17/h1-12,15-16,21H,13-14H2/t21-/m0/s1.
What are the key properties of [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 369.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 126437773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).