(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide

C21H16F4N4O — CID 25234753

IUPAC(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCc2nccnc2[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F4N4O/c22-15-5-7-16(8-6-15)28-20(30)29-12-9-17-18(27-11-10-26-17)19(29)13-1-3-14(4-2-13)21(23,24)25/h1-8,10-11,19H,9,12H2,(H,28,30)/t19-/m1/s1
InChIKeyJDUBVWRDXFALAF-LJQANCHMSA-N
MW416.38 g/mol
LogP4.81
Rot. Bonds2

About (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide

(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide (PubChem CID 25234753) has the molecular formula C21H16F4N4O and a molecular weight of 416.38 g/mol. Its IUPAC name is (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
PubChem CID25234753
Molecular FormulaC21H16F4N4O
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC Name(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCc2nccnc2[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F4N4O/c22-15-5-7-16(8-6-15)28-20(30)29-12-9-17-18(27-11-10-26-17)19(29)13-1-3-14(4-2-13)21(23,24)25/h1-8,10-11,19H,9,12H2,(H,28,30)/t19-/m1/s1
InChIKeyJDUBVWRDXFALAF-LJQANCHMSA-N
XLogP4.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The IUPAC name of (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide (CID 25234753) is (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide.
What is the SMILES notation for (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The canonical SMILES for (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide is O=C(Nc1ccc(F)cc1)N1CCc2nccnc2[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The InChIKey is JDUBVWRDXFALAF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H16F4N4O/c22-15-5-7-16(8-6-15)28-20(30)29-12-9-17-18(27-11-10-26-17)19(29)13-1-3-14(4-2-13)21(23,24)25/h1-8,10-11,19H,9,12H2,(H,28,30)/t19-/m1/s1.
What are the key properties of (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide has a molecular weight of 416.38 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide is sourced from PubChem (CID 25234753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).