N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C19H20FN5O2S — CID 91908361

IUPACN-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1F
InChIInChI=1S/C19H20FN5O2S/c1-12-11-25-16(18(21-12)24-5-7-28-8-6-24)10-15(23-25)19(26)22-13-3-4-17(27-2)14(20)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,22,26)
InChIKeyVKNRCZNPPMMUQR-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.99
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908361) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908361
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1F
InChIInChI=1S/C19H20FN5O2S/c1-12-11-25-16(18(21-12)24-5-7-28-8-6-24)10-15(23-25)19(26)22-13-3-4-17(27-2)14(20)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,22,26)
InChIKeyVKNRCZNPPMMUQR-UHFFFAOYSA-N
XLogP2.99
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908361) is N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is VKNRCZNPPMMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-12-11-25-16(18(21-12)24-5-7-28-8-6-24)10-15(23-25)19(26)22-13-3-4-17(27-2)14(20)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,22,26).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).