1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine

C12H15N3O2S — CID 58557965

IUPAC1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine
SMILESCN1CCCc2cnc3c(ccn3S(C)(=O)=O)c21
InChIInChI=1S/C12H15N3O2S/c1-14-6-3-4-9-8-13-12-10(11(9)14)5-7-15(12)18(2,16)17/h5,7-8H,3-4,6H2,1-2H3
InChIKeyHOWGFQRAEVDUHT-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.23
Rot. Bonds1

About 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine

1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine (PubChem CID 58557965) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine.

Molecular Properties

Compound Name1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine
PubChem CID58557965
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine
SMILESCN1CCCc2cnc3c(ccn3S(C)(=O)=O)c21
InChIInChI=1S/C12H15N3O2S/c1-14-6-3-4-9-8-13-12-10(11(9)14)5-7-15(12)18(2,16)17/h5,7-8H,3-4,6H2,1-2H3
InChIKeyHOWGFQRAEVDUHT-UHFFFAOYSA-N
XLogP1.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?
The IUPAC name of 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine (CID 58557965) is 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine.
What is the SMILES notation for 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?
The canonical SMILES for 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine is CN1CCCc2cnc3c(ccn3S(C)(=O)=O)c21.
What is the InChIKey of 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?
The InChIKey is HOWGFQRAEVDUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-14-6-3-4-9-8-13-12-10(11(9)14)5-7-15(12)18(2,16)17/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?
1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine has a molecular weight of 265.34 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylsulfonyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine is sourced from PubChem (CID 58557965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).