2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol

C22H20F3N5O — CID 155007028

IUPAC2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol
SMILESCc1cc(-c2nc3c(nc2-c2cccc(C(F)(F)F)c2)NC(O)C=C3)cc(N(C)C)n1
InChIInChI=1S/C22H20F3N5O/c1-12-9-14(11-17(26-12)30(2)3)20-19(13-5-4-6-15(10-13)22(23,24)25)29-21-16(27-20)7-8-18(31)28-21/h4-11,18,31H,1-3H3,(H,28,29)
InChIKeyWWBPGBBSMDZOET-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.36
Rot. Bonds3

About 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol

2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol (PubChem CID 155007028) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol
PubChem CID155007028
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC Name2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol
SMILESCc1cc(-c2nc3c(nc2-c2cccc(C(F)(F)F)c2)NC(O)C=C3)cc(N(C)C)n1
InChIInChI=1S/C22H20F3N5O/c1-12-9-14(11-17(26-12)30(2)3)20-19(13-5-4-6-15(10-13)22(23,24)25)29-21-16(27-20)7-8-18(31)28-21/h4-11,18,31H,1-3H3,(H,28,29)
InChIKeyWWBPGBBSMDZOET-UHFFFAOYSA-N
XLogP4.36
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol?
The IUPAC name of 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol (CID 155007028) is 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol.
What is the SMILES notation for 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol?
The canonical SMILES for 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol is Cc1cc(-c2nc3c(nc2-c2cccc(C(F)(F)F)c2)NC(O)C=C3)cc(N(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol?
The InChIKey is WWBPGBBSMDZOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O/c1-12-9-14(11-17(26-12)30(2)3)20-19(13-5-4-6-15(10-13)22(23,24)25)29-21-16(27-20)7-8-18(31)28-21/h4-11,18,31H,1-3H3,(H,28,29).
What are the key properties of 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol?
2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol has a molecular weight of 427.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol is sourced from PubChem (CID 155007028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).