N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide

C19H22N4O5S — CID 139341567

IUPACN-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C19H22N4O5S/c1-12-9-16(23-6-5-20-18(24)17(12)23)15-10-13(22-29(2,25)26)11-21-19(15)28-14-3-7-27-8-4-14/h5-6,9-11,14,22H,3-4,7-8H2,1-2H3,(H,20,24)
InChIKeyDAHHAECKHGQAJT-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.93
Rot. Bonds5

About N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide

N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide (PubChem CID 139341567) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide
PubChem CID139341567
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C19H22N4O5S/c1-12-9-16(23-6-5-20-18(24)17(12)23)15-10-13(22-29(2,25)26)11-21-19(15)28-14-3-7-27-8-4-14/h5-6,9-11,14,22H,3-4,7-8H2,1-2H3,(H,20,24)
InChIKeyDAHHAECKHGQAJT-UHFFFAOYSA-N
XLogP1.93
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide (CID 139341567) is N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.
What is the InChIKey of N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide?
The InChIKey is DAHHAECKHGQAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-12-9-16(23-6-5-20-18(24)17(12)23)15-10-13(22-29(2,25)26)11-21-19(15)28-14-3-7-27-8-4-14/h5-6,9-11,14,22H,3-4,7-8H2,1-2H3,(H,20,24).
What are the key properties of N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide?
N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide has a molecular weight of 418.48 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 139341567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).