N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C41H36F6N12O2 — CID 123446125

IUPACN-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCCc1ccncc1NC(=O)N1CCN(Cn2cnc(NC(=O)N3CCN(C)c4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C41H36F6N12O2/c1-3-25-14-15-48-22-32(25)52-38(60)59-19-17-56(34-13-11-31(51-36(34)59)27-7-5-9-29(21-27)41(45,46)47)24-57-23-49-37(54-57)53-39(61)58-18-16-55(2)33-12-10-30(50-35(33)58)26-6-4-8-28(20-26)40(42,43)44/h4-15,20-23H,3,16-19,24H2,1-2H3,(H,52,60)(H,53,54,61)
InChIKeySPICJQBPHILOKK-UHFFFAOYSA-N
MW842.81 g/mol
LogP8.40
Rot. Bonds7

About N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 123446125) has the molecular formula C41H36F6N12O2 and a molecular weight of 842.81 g/mol. Its IUPAC name is N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID123446125
Molecular FormulaC41H36F6N12O2
Molecular Weight842.81 g/mol
Exact Mass842.30
IUPAC NameN-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCCc1ccncc1NC(=O)N1CCN(Cn2cnc(NC(=O)N3CCN(C)c4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C41H36F6N12O2/c1-3-25-14-15-48-22-32(25)52-38(60)59-19-17-56(34-13-11-31(51-36(34)59)27-7-5-9-29(21-27)41(45,46)47)24-57-23-49-37(54-57)53-39(61)58-18-16-55(2)33-12-10-30(50-35(33)58)26-6-4-8-28(20-26)40(42,43)44/h4-15,20-23H,3,16-19,24H2,1-2H3,(H,52,60)(H,53,54,61)
InChIKeySPICJQBPHILOKK-UHFFFAOYSA-N
XLogP8.40
TPSA140.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.81
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[6-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 25154327
4-[6-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 25154363
3-N-[3-fluoro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1-(3-pyridin-3-yl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)-1,2,4-triazole-3,5-diamine
CID 25155471
3-N-[3-fluoro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1-(3-pyridin-4-yl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)-1,2,4-triazole-3,5-diamine
CID 25158033
1-methyl-N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 53233344
1-methyl-N-pyrimidin-5-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 53233345
1-methyl-N-pyridazin-3-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 53233447
N-(5-methylpyridin-3-yl)-7-(3-(trifluoromethyl)phenyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 53233782
N-(5-fluoropyridin-3-yl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 53233881
4-[8-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-ethylpiperidine-1-carboxamide
CID 56941905
4-[4-amino-5-[3-fluoro-4-[[4-(trifluoromethyl)pyridin-2-yl]carbamoylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-ethylpiperidine-1-carboxamide
CID 59232138
4-[4-amino-5-[3-fluoro-4-[[4-(trifluoromethyl)pyridin-2-yl]carbamoylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59232183

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 123446125) is N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is CCc1ccncc1NC(=O)N1CCN(Cn2cnc(NC(=O)N3CCN(C)c4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)c2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is SPICJQBPHILOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36F6N12O2/c1-3-25-14-15-48-22-32(25)52-38(60)59-19-17-56(34-13-11-31(51-36(34)59)27-7-5-9-29(21-27)41(45,46)47)24-57-23-49-37(54-57)53-39(61)58-18-16-55(2)33-12-10-30(50-35(33)58)26-6-4-8-28(20-26)40(42,43)44/h4-15,20-23H,3,16-19,24H2,1-2H3,(H,52,60)(H,53,54,61).
What are the key properties of N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 842.81 g/mol, XLogP of 8.40, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 123446125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).