1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine

C18H19FN4O2S — CID 44611530

IUPAC1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine
SMILESCC1CN(c2cn(S(=O)(=O)c3cccc(F)c3)c3cccnc23)CCN1
InChIInChI=1S/C18H19FN4O2S/c1-13-11-22(9-8-20-13)17-12-23(16-6-3-7-21-18(16)17)26(24,25)15-5-2-4-14(19)10-15/h2-7,10,12-13,20H,8-9,11H2,1H3
InChIKeyURYCUBFCUVRQQX-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.21
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine

1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine (PubChem CID 44611530) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine
PubChem CID44611530
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine
SMILESCC1CN(c2cn(S(=O)(=O)c3cccc(F)c3)c3cccnc23)CCN1
InChIInChI=1S/C18H19FN4O2S/c1-13-11-22(9-8-20-13)17-12-23(16-6-3-7-21-18(16)17)26(24,25)15-5-2-4-14(19)10-15/h2-7,10,12-13,20H,8-9,11H2,1H3
InChIKeyURYCUBFCUVRQQX-UHFFFAOYSA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine (CID 44611530) is 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine is CC1CN(c2cn(S(=O)(=O)c3cccc(F)c3)c3cccnc23)CCN1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is URYCUBFCUVRQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-13-11-22(9-8-20-13)17-12-23(16-6-3-7-21-18(16)17)26(24,25)15-5-2-4-14(19)10-15/h2-7,10,12-13,20H,8-9,11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine?
1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 374.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-3-(3-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 44611530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).