N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide

C12H11ClN6OS — CID 145153454

IUPACN-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide
SMILESCNc1cnc2scc(C(=O)Nc3cn(C)nc3Cl)c2n1
InChIInChI=1S/C12H11ClN6OS/c1-14-8-3-15-12-9(17-8)6(5-21-12)11(20)16-7-4-19(2)18-10(7)13/h3-5H,1-2H3,(H,14,17)(H,16,20)
InChIKeyTXIVUAYUWSHEQZ-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.37
Rot. Bonds3

About N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide

N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide (PubChem CID 145153454) has the molecular formula C12H11ClN6OS and a molecular weight of 322.78 g/mol. Its IUPAC name is N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide
PubChem CID145153454
Molecular FormulaC12H11ClN6OS
Molecular Weight322.78 g/mol
Exact Mass322.04
IUPAC NameN-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide
SMILESCNc1cnc2scc(C(=O)Nc3cn(C)nc3Cl)c2n1
InChIInChI=1S/C12H11ClN6OS/c1-14-8-3-15-12-9(17-8)6(5-21-12)11(20)16-7-4-19(2)18-10(7)13/h3-5H,1-2H3,(H,14,17)(H,16,20)
InChIKeyTXIVUAYUWSHEQZ-UHFFFAOYSA-N
XLogP2.37
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[[(3R)-piperidin-3-yl]amino]thieno[2,3-b]pyrazine-7-carboxamide
CID 122196172
N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide
CID 122515236
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
CID 122515300
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]thieno[2,3-b]pyrazine-7-carboxamide
CID 122515274
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-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 102807225
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(4-bromothiophen-3-yl)thieno[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134263389
1-chloro-N-(1,3-dimethylpyrazol-4-yl)isoquinoline-4-carboxamide
CID 106766455
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-chloro-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134263069
2-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide
CID 134263347
6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyrazine-2-carboxamide
CID 106551394

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide (CID 145153454) is N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide is CNc1cnc2scc(C(=O)Nc3cn(C)nc3Cl)c2n1.
What is the InChIKey of N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide?
The InChIKey is TXIVUAYUWSHEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6OS/c1-14-8-3-15-12-9(17-8)6(5-21-12)11(20)16-7-4-19(2)18-10(7)13/h3-5H,1-2H3,(H,14,17)(H,16,20).
What are the key properties of N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide?
N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide has a molecular weight of 322.78 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 145153454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).