1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine

C17H17FN4O3S — CID 25002635

IUPAC1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(OC)nc2)c1
InChIInChI=1S/C17H17FN4O3S/c1-19-9-12-8-15(14-4-3-7-20-17(14)18)22(11-12)26(23,24)13-5-6-16(25-2)21-10-13/h3-8,10-11,19H,9H2,1-2H3
InChIKeyKYANNJBBRACPBP-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.05
Rot. Bonds6

About 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine

1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine (PubChem CID 25002635) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
PubChem CID25002635
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(OC)nc2)c1
InChIInChI=1S/C17H17FN4O3S/c1-19-9-12-8-15(14-4-3-7-20-17(14)18)22(11-12)26(23,24)13-5-6-16(25-2)21-10-13/h3-8,10-11,19H,9H2,1-2H3
InChIKeyKYANNJBBRACPBP-UHFFFAOYSA-N
XLogP2.05
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide
CID 156600271
1-(1-((4-Methoxyphenyl)sulfonyl)-5-phenyl-1H-pyrrol-3-yl)-N-methylmethanamine
CID 46866596
1-{1-[(3-Methoxyphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}-N-methylmethanamine hydrochloride
CID 57522143
1-[1-[(6-methoxy-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 57522266
1-{1-[(4-Methoxyphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}-N-methylmethanamine hydrochloride
CID 66924724
1-[5-(2-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67083994
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-2-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 67084105
1-[5-(2-fluoro-3-pyridinyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 67084120
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 67084182
1-[5-(2-fluoro-3-pyridinyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 67084186
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(4-methoxy-2-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 67177911
1-[4-Fluoro-5-(2-fluoropyridin-3-yl)-1-(5-methoxypyridine-2-sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine
CID 67177931

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine (CID 25002635) is 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(OC)nc2)c1.
What is the InChIKey of 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is KYANNJBBRACPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-19-9-12-8-15(14-4-3-7-20-17(14)18)22(11-12)26(23,24)13-5-6-16(25-2)21-10-13/h3-8,10-11,19H,9H2,1-2H3.
What are the key properties of 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine?
1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 376.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 25002635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).