1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C20H17F3N6O — CID 53233345

IUPAC1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCN1CCN(C(=O)Nc2cncnc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C20H17F3N6O/c1-28-7-8-29(19(30)26-15-10-24-12-25-11-15)18-17(28)6-5-16(27-18)13-3-2-4-14(9-13)20(21,22)23/h2-6,9-12H,7-8H2,1H3,(H,26,30)
InChIKeyIODTZEHAYUUTPF-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.05
Rot. Bonds2

About 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 53233345) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID53233345
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCN1CCN(C(=O)Nc2cncnc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C20H17F3N6O/c1-28-7-8-29(19(30)26-15-10-24-12-25-11-15)18-17(28)6-5-16(27-18)13-3-2-4-14(9-13)20(21,22)23/h2-6,9-12H,7-8H2,1H3,(H,26,30)
InChIKeyIODTZEHAYUUTPF-UHFFFAOYSA-N
XLogP4.05
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 53233345) is 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is CN1CCN(C(=O)Nc2cncnc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is IODTZEHAYUUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c1-28-7-8-29(19(30)26-15-10-24-12-25-11-15)18-17(28)6-5-16(27-18)13-3-2-4-14(9-13)20(21,22)23/h2-6,9-12H,7-8H2,1H3,(H,26,30).
What are the key properties of 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 53233345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).