1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol

C18H14F4N4O — CID 144843563

IUPAC1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2cnc3cncc(-c4ccc(C(F)(F)F)cc4F)c3n2)C1
InChIInChI=1S/C18H14F4N4O/c19-14-5-10(18(20,21)22)1-2-12(14)13-6-23-7-15-17(13)25-16(8-24-15)26-4-3-11(27)9-26/h1-2,5-8,11,27H,3-4,9H2
InChIKeyQQZFAIKXMDJAGY-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.42
Rot. Bonds2

About 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol

1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol (PubChem CID 144843563) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol
PubChem CID144843563
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC Name1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2cnc3cncc(-c4ccc(C(F)(F)F)cc4F)c3n2)C1
InChIInChI=1S/C18H14F4N4O/c19-14-5-10(18(20,21)22)1-2-12(14)13-6-23-7-15-17(13)25-16(8-24-15)26-4-3-11(27)9-26/h1-2,5-8,11,27H,3-4,9H2
InChIKeyQQZFAIKXMDJAGY-UHFFFAOYSA-N
XLogP3.42
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol (CID 144843563) is 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol is OC1CCN(c2cnc3cncc(-c4ccc(C(F)(F)F)cc4F)c3n2)C1.
What is the InChIKey of 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol?
The InChIKey is QQZFAIKXMDJAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c19-14-5-10(18(20,21)22)1-2-12(14)13-6-23-7-15-17(13)25-16(8-24-15)26-4-3-11(27)9-26/h1-2,5-8,11,27H,3-4,9H2.
What are the key properties of 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol?
1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol has a molecular weight of 378.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 144843563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).