6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide

C19H18F3N5O2S — CID 91908352

IUPAC6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c(N2CCSCC2)n1
InChIInChI=1S/C19H18F3N5O2S/c1-12-11-27-16(17(23-12)26-6-8-30-9-7-26)10-15(25-27)18(28)24-13-2-4-14(5-3-13)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,24,28)
InChIKeyVGXVZTMGYMIQTN-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.74
Rot. Bonds4

About 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide

6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908352) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908352
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c(N2CCSCC2)n1
InChIInChI=1S/C19H18F3N5O2S/c1-12-11-27-16(17(23-12)26-6-8-30-9-7-26)10-15(25-27)18(28)24-13-2-4-14(5-3-13)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,24,28)
InChIKeyVGXVZTMGYMIQTN-UHFFFAOYSA-N
XLogP3.74
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908352) is 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c(N2CCSCC2)n1.
What is the InChIKey of 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is VGXVZTMGYMIQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-12-11-27-16(17(23-12)26-6-8-30-9-7-26)10-15(25-27)18(28)24-13-2-4-14(5-3-13)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,24,28).
What are the key properties of 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-thiomorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).