1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine

C19H22FN5O2S — CID 162657540

IUPAC1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN5O2S/c1-13(2)18-23-17-16(6-7-22-19(17)24-10-8-21-9-11-24)25(18)28(26,27)15-5-3-4-14(20)12-15/h3-7,12-13,21H,8-11H2,1-2H3
InChIKeyIPRKBRUCDHXJNF-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.34
Rot. Bonds4

About 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine

1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 162657540) has the molecular formula C19H22FN5O2S and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID162657540
Molecular FormulaC19H22FN5O2S
Molecular Weight403.48 g/mol
Exact Mass403.15
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN5O2S/c1-13(2)18-23-17-16(6-7-22-19(17)24-10-8-21-9-11-24)25(18)28(26,27)15-5-3-4-14(20)12-15/h3-7,12-13,21H,8-11H2,1-2H3
InChIKeyIPRKBRUCDHXJNF-UHFFFAOYSA-N
XLogP2.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine with MolForge

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Related Compounds

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Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine (CID 162657540) is 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine is CC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is IPRKBRUCDHXJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S/c1-13(2)18-23-17-16(6-7-22-19(17)24-10-8-21-9-11-24)25(18)28(26,27)15-5-3-4-14(20)12-15/h3-7,12-13,21H,8-11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 403.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 162657540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).