N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide

C16H16F3N7OS — CID 122515300

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(NC(=O)c2csc3ncc(N4CCNCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N7OS/c1-25-7-10(13(24-25)16(17,18)19)22-14(27)9-8-28-15-12(9)23-11(6-21-15)26-4-2-20-3-5-26/h6-8,20H,2-5H2,1H3,(H,22,27)
InChIKeyQMYRYZBJLULLTM-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.11
Rot. Bonds3

About N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide (PubChem CID 122515300) has the molecular formula C16H16F3N7OS and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
PubChem CID122515300
Molecular FormulaC16H16F3N7OS
Molecular Weight411.41 g/mol
Exact Mass411.11
IUPAC NameN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(NC(=O)c2csc3ncc(N4CCNCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N7OS/c1-25-7-10(13(24-25)16(17,18)19)22-14(27)9-8-28-15-12(9)23-11(6-21-15)26-4-2-20-3-5-26/h6-8,20H,2-5H2,1H3,(H,22,27)
InChIKeyQMYRYZBJLULLTM-UHFFFAOYSA-N
XLogP2.11
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
CID 122515274
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[[(3R)-piperidin-3-yl]amino]thieno[2,3-b]pyrazine-7-carboxamide
CID 122196172
N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
CID 122515314
2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134263375
2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
CID 122515289
2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134262278
N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide
CID 145153454
5-(4-methylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516638
2-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
CID 134263403
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[2-(trifluoromethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542196
5-(4,7-diazaspiro[2.6]nonan-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134263210
3,3-difluorobutan-2-one;5-piperazin-1-yl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153138

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide (CID 122515300) is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide is Cn1cc(NC(=O)c2csc3ncc(N4CCNCC4)nc23)c(C(F)(F)F)n1.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QMYRYZBJLULLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7OS/c1-25-7-10(13(24-25)16(17,18)19)22-14(27)9-8-28-15-12(9)23-11(6-21-15)26-4-2-20-3-5-26/h6-8,20H,2-5H2,1H3,(H,22,27).
What are the key properties of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide?
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 122515300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).