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

C19H14F4N4O2 — CID 118077769

IUPAC[8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cnc2cncc(-c3ccc(C(F)(F)F)c(F)c3)c2n1)N1CCC(O)C1
InChIInChI=1S/C19H14F4N4O2/c20-14-5-10(1-2-13(14)19(21,22)23)12-6-24-7-15-17(12)26-16(8-25-15)18(29)27-4-3-11(28)9-27/h1-2,5-8,11,28H,3-4,9H2
InChIKeyTWYHZQYFBKNEOQ-UHFFFAOYSA-N
MW406.34 g/mol
LogP3.06
Rot. Bonds2

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

[8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 118077769) has the molecular formula C19H14F4N4O2 and a molecular weight of 406.34 g/mol. Its IUPAC name is [8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID118077769
Molecular FormulaC19H14F4N4O2
Molecular Weight406.34 g/mol
Exact Mass406.11
IUPAC Name[8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cnc2cncc(-c3ccc(C(F)(F)F)c(F)c3)c2n1)N1CCC(O)C1
InChIInChI=1S/C19H14F4N4O2/c20-14-5-10(1-2-13(14)19(21,22)23)12-6-24-7-15-17(12)26-16(8-25-15)18(29)27-4-3-11(28)9-27/h1-2,5-8,11,28H,3-4,9H2
InChIKeyTWYHZQYFBKNEOQ-UHFFFAOYSA-N
XLogP3.06
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 118077758
[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 75203887
[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 118077777
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol
CID 144843563
(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane
CID 142527606
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid
CID 118024283
[4-amino-3-(trifluoromethyl)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942525
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone
CID 118024719
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide
CID 137490383
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 143518855

Frequently Asked Questions

What is the IUPAC name of [8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 118077769) is [8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1cnc2cncc(-c3ccc(C(F)(F)F)c(F)c3)c2n1)N1CCC(O)C1.
What is the InChIKey of [8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is TWYHZQYFBKNEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O2/c20-14-5-10(1-2-13(14)19(21,22)23)12-6-24-7-15-17(12)26-16(8-25-15)18(29)27-4-3-11(28)9-27/h1-2,5-8,11,28H,3-4,9H2.
What are the key properties of [8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
[8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 406.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 118077769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).