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

C19H23N5O2S — CID 126720436

IUPAC1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23N5O2S/c1-14(2)18-22-17-16(8-9-21-19(17)23-12-10-20-11-13-23)24(18)27(25,26)15-6-4-3-5-7-15/h3-9,14,20H,10-13H2,1-2H3
InChIKeyRZIZMMVPGGRYKX-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.20
Rot. Bonds4

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

1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 126720436) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID126720436
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23N5O2S/c1-14(2)18-22-17-16(8-9-21-19(17)23-12-10-20-11-13-23)24(18)27(25,26)15-6-4-3-5-7-15/h3-9,14,20H,10-13H2,1-2H3
InChIKeyRZIZMMVPGGRYKX-UHFFFAOYSA-N
XLogP2.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine (CID 126720436) is 1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine is CC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is RZIZMMVPGGRYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-14(2)18-22-17-16(8-9-21-19(17)23-12-10-20-11-13-23)24(18)27(25,26)15-6-4-3-5-7-15/h3-9,14,20H,10-13H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 385.49 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 126720436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).