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

C18H19FN4O2S — CID 44611532

IUPAC1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine
SMILESC[C@H]1CN(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/t13-/m0/s1
InChIKeyURYCUBFCUVRQQX-ZDUSSCGKSA-N
MW374.44 g/mol
LogP2.21
Rot. Bonds3

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

1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine (PubChem CID 44611532) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine
PubChem CID44611532
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine
SMILESC[C@H]1CN(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/t13-/m0/s1
InChIKeyURYCUBFCUVRQQX-ZDUSSCGKSA-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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Related Compounds

VU0255035
CID 24768606
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
CID 23624297
11-(3-Fluorophenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53303985
US9974785, Example 2
CID 118654422
US9974785, Example 5
CID 118654426
2-Ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 126720397
1-(Phenylsulfonyl)-4-azaindole
CID 45270766
4-Piperazin-1-yl-1-pyridin-2-ylsulfonylindole
CID 44403297
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 162657540
1-(3-Fluorophenyl)sulfonyl-3-methyl-4-piperazin-1-ylindole
CID 168285508
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-fluorophenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 11633712

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine (CID 44611532) is 1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine is C[C@H]1CN(c2cn(S(=O)(=O)c3cccc(F)c3)c3cccnc23)CCN1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine?
The InChIKey is URYCUBFCUVRQQX-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine?
1-(3-fluorophenyl)sulfonyl-3-[(3S)-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-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 44611532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).