2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

C24H21F3N6O — CID 157044639

IUPAC2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1cc(C2CN(c3cc4nc(C)cnc4c(-c4ccc(C(F)(F)F)nc4)n3)CCO2)ccn1
InChIInChI=1S/C24H21F3N6O/c1-14-9-16(5-6-28-14)19-13-33(7-8-34-19)21-10-18-23(30-11-15(2)31-18)22(32-21)17-3-4-20(29-12-17)24(25,26)27/h3-6,9-12,19H,7-8,13H2,1-2H3
InChIKeyMHUALZFFQZZQOR-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.70
Rot. Bonds3

About 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (PubChem CID 157044639) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
PubChem CID157044639
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1cc(C2CN(c3cc4nc(C)cnc4c(-c4ccc(C(F)(F)F)nc4)n3)CCO2)ccn1
InChIInChI=1S/C24H21F3N6O/c1-14-9-16(5-6-28-14)19-13-33(7-8-34-19)21-10-18-23(30-11-15(2)31-18)22(32-21)17-3-4-20(29-12-17)24(25,26)27/h3-6,9-12,19H,7-8,13H2,1-2H3
InChIKeyMHUALZFFQZZQOR-UHFFFAOYSA-N
XLogP4.70
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (CID 157044639) is 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is Cc1cc(C2CN(c3cc4nc(C)cnc4c(-c4ccc(C(F)(F)F)nc4)n3)CCO2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
The InChIKey is MHUALZFFQZZQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-14-9-16(5-6-28-14)19-13-33(7-8-34-19)21-10-18-23(30-11-15(2)31-18)22(32-21)17-3-4-20(29-12-17)24(25,26)27/h3-6,9-12,19H,7-8,13H2,1-2H3.
What are the key properties of 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine has a molecular weight of 466.47 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is sourced from PubChem (CID 157044639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).