N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C19H21N5O2S — CID 91908338

IUPACN-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(N3CCSCC3)nc(C)cn2n1
InChIInChI=1S/C19H21N5O2S/c1-13-12-24-16(18(20-13)23-7-9-27-10-8-23)11-15(22-24)19(25)21-14-5-3-4-6-17(14)26-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)
InChIKeyIYSQYMGHYOMZGB-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.85
Rot. Bonds4

About N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908338) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908338
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(N3CCSCC3)nc(C)cn2n1
InChIInChI=1S/C19H21N5O2S/c1-13-12-24-16(18(20-13)23-7-9-27-10-8-23)11-15(22-24)19(25)21-14-5-3-4-6-17(14)26-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)
InChIKeyIYSQYMGHYOMZGB-UHFFFAOYSA-N
XLogP2.85
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908338) is N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccccc1NC(=O)c1cc2c(N3CCSCC3)nc(C)cn2n1.
What is the InChIKey of N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is IYSQYMGHYOMZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-13-12-24-16(18(20-13)23-7-9-27-10-8-23)11-15(22-24)19(25)21-14-5-3-4-6-17(14)26-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).