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

C17H18F3N7OS — CID 122515274

IUPAC2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(NC(=O)c2csc3ncc(N4CCCNCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N7OS/c1-26-8-11(14(25-26)17(18,19)20)23-15(28)10-9-29-16-13(10)24-12(7-22-16)27-5-2-3-21-4-6-27/h7-9,21H,2-6H2,1H3,(H,23,28)
InChIKeyOLTBSNVUBBDTIX-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.50
Rot. Bonds3

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

2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide (PubChem CID 122515274) has the molecular formula C17H18F3N7OS and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
PubChem CID122515274
Molecular FormulaC17H18F3N7OS
Molecular Weight425.44 g/mol
Exact Mass425.12
IUPAC Name2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(NC(=O)c2csc3ncc(N4CCCNCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N7OS/c1-26-8-11(14(25-26)17(18,19)20)23-15(28)10-9-29-16-13(10)24-12(7-22-16)27-5-2-3-21-4-6-27/h7-9,21H,2-6H2,1H3,(H,23,28)
InChIKeyOLTBSNVUBBDTIX-UHFFFAOYSA-N
XLogP2.50
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
CID 122515300
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-(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
2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
CID 122515289
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
5-(4,8-diazaspiro[2.6]nonan-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516594
N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide
CID 145153454
5-(1,4-diazepan-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516630
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide (CID 122515274) is 2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide is Cn1cc(NC(=O)c2csc3ncc(N4CCCNCC4)nc23)c(C(F)(F)F)n1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OLTBSNVUBBDTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7OS/c1-26-8-11(14(25-26)17(18,19)20)23-15(28)10-9-29-16-13(10)24-12(7-22-16)27-5-2-3-21-4-6-27/h7-9,21H,2-6H2,1H3,(H,23,28).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide?
2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 122515274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).