2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde

C24H21FN4O3S — CID 130455931

IUPAC2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde
SMILESO=Cc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccccc4)nc4cccnc43)CC2)cc1F
InChIInChI=1S/C24H21FN4O3S/c25-21-15-20(9-8-18(21)16-30)33(31,32)28-13-10-19(11-14-28)29-23(17-5-2-1-3-6-17)27-22-7-4-12-26-24(22)29/h1-9,12,15-16,19H,10-11,13-14H2
InChIKeyAOZKOCNJISRWTM-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.08
Rot. Bonds5

About 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde

2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde (PubChem CID 130455931) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde
PubChem CID130455931
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC Name2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde
SMILESO=Cc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccccc4)nc4cccnc43)CC2)cc1F
InChIInChI=1S/C24H21FN4O3S/c25-21-15-20(9-8-18(21)16-30)33(31,32)28-13-10-19(11-14-28)29-23(17-5-2-1-3-6-17)27-22-7-4-12-26-24(22)29/h1-9,12,15-16,19H,10-11,13-14H2
InChIKeyAOZKOCNJISRWTM-UHFFFAOYSA-N
XLogP4.08
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde?
The IUPAC name of 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde (CID 130455931) is 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde.
What is the SMILES notation for 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde?
The canonical SMILES for 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde is O=Cc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccccc4)nc4cccnc43)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde?
The InChIKey is AOZKOCNJISRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c25-21-15-20(9-8-18(21)16-30)33(31,32)28-13-10-19(11-14-28)29-23(17-5-2-1-3-6-17)27-22-7-4-12-26-24(22)29/h1-9,12,15-16,19H,10-11,13-14H2.
What are the key properties of 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde?
2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde has a molecular weight of 464.52 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylbenzaldehyde is sourced from PubChem (CID 130455931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).