[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone

C16H14N4OS — CID 97081794

IUPAC[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-16(13-11-17-22-18-13)20-10-9-19-8-4-7-14(19)15(20)12-5-2-1-3-6-12/h1-8,11,15H,9-10H2/t15-/m1/s1
InChIKeyPHNUZWAGTWMQAI-OAHLLOKOSA-N
MW310.38 g/mol
LogP2.59
Rot. Bonds2

About [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone

[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 97081794) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID97081794
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-16(13-11-17-22-18-13)20-10-9-19-8-4-7-14(19)15(20)12-5-2-1-3-6-12/h1-8,11,15H,9-10H2/t15-/m1/s1
InChIKeyPHNUZWAGTWMQAI-OAHLLOKOSA-N
XLogP2.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 51093120
(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 71931138
[(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
(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698
3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1H-pyridin-2-one
CID 94813645
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
(5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 94045543
(1S)-N-methyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 7136142
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
(1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95762685
(1S)-N-(3,4-dichlorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387321

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 97081794) is [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCn2cccc2[C@H]1c1ccccc1.
What is the InChIKey of [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is PHNUZWAGTWMQAI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(13-11-17-22-18-13)20-10-9-19-8-4-7-14(19)15(20)12-5-2-1-3-6-12/h1-8,11,15H,9-10H2/t15-/m1/s1.
What are the key properties of [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 310.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 97081794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).