N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

C23H23F3N6O2S — CID 121257642

IUPACN,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)N2CCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)sc1C(=O)N(C)C
InChIInChI=1S/C23H23F3N6O2S/c1-13-18(20(33)30(2)3)35-21(27-13)29-22(34)32-11-10-31(4)17-9-8-16(28-19(17)32)14-6-5-7-15(12-14)23(24,25)26/h5-9,12H,10-11H2,1-4H3,(H,27,29,34)
InChIKeySEVJOIACVKLCLU-UHFFFAOYSA-N
MW504.54 g/mol
LogP4.72
Rot. Bonds3

About N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 121257642) has the molecular formula C23H23F3N6O2S and a molecular weight of 504.54 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID121257642
Molecular FormulaC23H23F3N6O2S
Molecular Weight504.54 g/mol
Exact Mass504.16
IUPAC NameN,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)N2CCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)sc1C(=O)N(C)C
InChIInChI=1S/C23H23F3N6O2S/c1-13-18(20(33)30(2)3)35-21(27-13)29-22(34)32-11-10-31(4)17-9-8-16(28-19(17)32)14-6-5-7-15(12-14)23(24,25)26/h5-9,12H,10-11H2,1-4H3,(H,27,29,34)
InChIKeySEVJOIACVKLCLU-UHFFFAOYSA-N
XLogP4.72
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 121257642) is N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)N2CCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is SEVJOIACVKLCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2S/c1-13-18(20(33)30(2)3)35-21(27-13)29-22(34)32-11-10-31(4)17-9-8-16(28-19(17)32)14-6-5-7-15(12-14)23(24,25)26/h5-9,12H,10-11H2,1-4H3,(H,27,29,34).
What are the key properties of N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 121257642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).