[3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone

C18H20N4O3S — CID 127780591

IUPAC[3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone
SMILESCN1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c2cnccc21
InChIInChI=1S/C18H20N4O3S/c1-20-9-10-22(17-11-19-8-7-16(17)20)26(24,25)15-12-21(13-15)18(23)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyRWIFDMVPAXVRBU-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.19
Rot. Bonds3

About [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone

[3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone (PubChem CID 127780591) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone
PubChem CID127780591
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name[3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone
SMILESCN1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c2cnccc21
InChIInChI=1S/C18H20N4O3S/c1-20-9-10-22(17-11-19-8-7-16(17)20)26(24,25)15-12-21(13-15)18(23)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyRWIFDMVPAXVRBU-UHFFFAOYSA-N
XLogP1.19
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide
CID 97344432
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methanone
CID 96535254
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
(2R,3R)-1-(1-benzoylazetidin-3-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105008
1-benzoyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]azetidine-3-sulfonamide
CID 97344428
phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46846380
phenyl-[3-[(3R)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]sulfonylazetidin-1-yl]methanone
CID 97344616
[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone
CID 75474398
(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471880
1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone
CID 167822126
(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone
CID 10515904

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone (CID 127780591) is [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone is CN1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c2cnccc21.
What is the InChIKey of [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone?
The InChIKey is RWIFDMVPAXVRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-20-9-10-22(17-11-19-8-7-16(17)20)26(24,25)15-12-21(13-15)18(23)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12-13H2,1H3.
What are the key properties of [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone?
[3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone has a molecular weight of 372.45 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone is sourced from PubChem (CID 127780591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).