2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine

C26H24F3N5O — CID 157044468

IUPAC2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine
SMILESCc1cc([C@H]2CC(c3cc4nc(C)c(C)nc4c(-c4ccc(C(F)(F)F)nc4)n3)CCO2)ccn1
InChIInChI=1S/C26H24F3N5O/c1-14-10-18(6-8-30-14)22-11-17(7-9-35-22)20-12-21-25(33-16(3)15(2)32-21)24(34-20)19-4-5-23(31-13-19)26(27,28)29/h4-6,8,10,12-13,17,22H,7,9,11H2,1-3H3/t17?,22-/m1/s1
InChIKeyGRHRLLAWBRPVDM-IVAFLUGOSA-N
MW479.51 g/mol
LogP6.06
Rot. Bonds3

About 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine

2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine (PubChem CID 157044468) has the molecular formula C26H24F3N5O and a molecular weight of 479.51 g/mol. Its IUPAC name is 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine
PubChem CID157044468
Molecular FormulaC26H24F3N5O
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine
SMILESCc1cc([C@H]2CC(c3cc4nc(C)c(C)nc4c(-c4ccc(C(F)(F)F)nc4)n3)CCO2)ccn1
InChIInChI=1S/C26H24F3N5O/c1-14-10-18(6-8-30-14)22-11-17(7-9-35-22)20-12-21-25(33-16(3)15(2)32-21)24(34-20)19-4-5-23(31-13-19)26(27,28)29/h4-6,8,10,12-13,17,22H,7,9,11H2,1-3H3/t17?,22-/m1/s1
InChIKeyGRHRLLAWBRPVDM-IVAFLUGOSA-N
XLogP6.06
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine?
The IUPAC name of 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine (CID 157044468) is 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine.
What is the SMILES notation for 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine?
The canonical SMILES for 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine is Cc1cc([C@H]2CC(c3cc4nc(C)c(C)nc4c(-c4ccc(C(F)(F)F)nc4)n3)CCO2)ccn1.
What is the InChIKey of 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine?
The InChIKey is GRHRLLAWBRPVDM-IVAFLUGOSA-N. The full InChI is InChI=1S/C26H24F3N5O/c1-14-10-18(6-8-30-14)22-11-17(7-9-35-22)20-12-21-25(33-16(3)15(2)32-21)24(34-20)19-4-5-23(31-13-19)26(27,28)29/h4-6,8,10,12-13,17,22H,7,9,11H2,1-3H3/t17?,22-/m1/s1.
What are the key properties of 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine?
2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine has a molecular weight of 479.51 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-[(2R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazine is sourced from PubChem (CID 157044468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).