4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol

C18H20FN3O — CID 141200219

IUPAC4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
SMILESCC(C)N1CC(O)=C(c2cnc(Cc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C18H20FN3O/c1-12(2)22-10-16(18(23)11-22)17-9-20-15(8-21-17)7-13-3-5-14(19)6-4-13/h3-6,8-9,12,23H,7,10-11H2,1-2H3
InChIKeyUDCOMDRAUDIYFG-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.20
Rot. Bonds4

About 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol

4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol (PubChem CID 141200219) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
PubChem CID141200219
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
SMILESCC(C)N1CC(O)=C(c2cnc(Cc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C18H20FN3O/c1-12(2)22-10-16(18(23)11-22)17-9-20-15(8-21-17)7-13-3-5-14(19)6-4-13/h3-6,8-9,12,23H,7,10-11H2,1-2H3
InChIKeyUDCOMDRAUDIYFG-UHFFFAOYSA-N
XLogP3.20
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
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2-[(4-fluorophenyl)methyl]-1-methylimidazol-4-ol
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(4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone
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3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
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1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
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1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
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[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
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2-[(4-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254377
(4E)-4-[[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione
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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol (CID 141200219) is 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol is CC(C)N1CC(O)=C(c2cnc(Cc3ccc(F)cc3)cn2)C1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol?
The InChIKey is UDCOMDRAUDIYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-12(2)22-10-16(18(23)11-22)17-9-20-15(8-21-17)7-13-3-5-14(19)6-4-13/h3-6,8-9,12,23H,7,10-11H2,1-2H3.
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol?
4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol has a molecular weight of 313.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]pyrazin-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol is sourced from PubChem (CID 141200219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).