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

C12H10N6O2S — CID 122515236

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(NC(=O)c2csc3nccnc23)c(C(N)=O)n1
InChIInChI=1S/C12H10N6O2S/c1-18-4-7(9(17-18)10(13)19)16-11(20)6-5-21-12-8(6)14-2-3-15-12/h2-5H,1H3,(H2,13,19)(H,16,20)
InChIKeyLPNWVHGPFYBRHW-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.78
Rot. Bonds3

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

N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide (PubChem CID 122515236) has the molecular formula C12H10N6O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide
PubChem CID122515236
Molecular FormulaC12H10N6O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(NC(=O)c2csc3nccnc23)c(C(N)=O)n1
InChIInChI=1S/C12H10N6O2S/c1-18-4-7(9(17-18)10(13)19)16-11(20)6-5-21-12-8(6)14-2-3-15-12/h2-5H,1H3,(H2,13,19)(H,16,20)
InChIKeyLPNWVHGPFYBRHW-UHFFFAOYSA-N
XLogP0.78
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-1-methylpyrazol-4-yl)-2-(methylamino)thieno[2,3-b]pyrazine-7-carboxamide
CID 145153454
1-methyl-4-(2-methylpropylcarbamothioylamino)pyrazole-3-carboxamide
CID 17278947
4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 17024416
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
CID 122515300
4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4774859
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
4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide
CID 17378532
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[[(3R)-piperidin-3-yl]amino]thieno[2,3-b]pyrazine-7-carboxamide
CID 122196172
3-carbamoyl-1-methylpyrazole-4-carboxylic acid
CID 19623313
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4766875
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-(3-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide;2-(3-methylsulfonylphenyl)-1,3-thiazole-4-carboxylic acid
CID 158962680

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide (CID 122515236) is N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide is Cn1cc(NC(=O)c2csc3nccnc23)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LPNWVHGPFYBRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S/c1-18-4-7(9(17-18)10(13)19)16-11(20)6-5-21-12-8(6)14-2-3-15-12/h2-5H,1H3,(H2,13,19)(H,16,20).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide has a molecular weight of 302.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methylpyrazol-4-yl)thieno[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 122515236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).