1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone

C18H17FN4O2S — CID 124788233

IUPAC1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1Cc2cncn2[C@@H](COc2ncccc2F)C1
InChIInChI=1S/C18H17FN4O2S/c19-16-2-1-4-21-18(16)25-10-15-9-22(8-14-7-20-12-23(14)15)17(24)6-13-3-5-26-11-13/h1-5,7,11-12,15H,6,8-10H2/t15-/m1/s1
InChIKeyBGPSVELOPWFKQP-OAHLLOKOSA-N
MW372.43 g/mol
LogP2.68
Rot. Bonds5

About 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone

1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (PubChem CID 124788233) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
PubChem CID124788233
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1Cc2cncn2[C@@H](COc2ncccc2F)C1
InChIInChI=1S/C18H17FN4O2S/c19-16-2-1-4-21-18(16)25-10-15-9-22(8-14-7-20-12-23(14)15)17(24)6-13-3-5-26-11-13/h1-5,7,11-12,15H,6,8-10H2/t15-/m1/s1
InChIKeyBGPSVELOPWFKQP-OAHLLOKOSA-N
XLogP2.68
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (CID 124788233) is 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1Cc2cncn2[C@@H](COc2ncccc2F)C1.
What is the InChIKey of 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The InChIKey is BGPSVELOPWFKQP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-16-2-1-4-21-18(16)25-10-15-9-22(8-14-7-20-12-23(14)15)17(24)6-13-3-5-26-11-13/h1-5,7,11-12,15H,6,8-10H2/t15-/m1/s1.
What are the key properties of 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone has a molecular weight of 372.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 124788233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).