4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide

C25H23FN4O3S — CID 55387708

IUPAC4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H23FN4O3S/c26-20-13-12-19(17-21(20)34(32,33)29-14-6-2-7-15-29)25(31)28-24-23(18-9-3-1-4-10-18)27-22-11-5-8-16-30(22)24/h1,3-5,8-13,16-17H,2,6-7,14-15H2,(H,28,31)
InChIKeyWJSDRXMGKDSXBK-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.57
Rot. Bonds5

About 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55387708) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55387708
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H23FN4O3S/c26-20-13-12-19(17-21(20)34(32,33)29-14-6-2-7-15-29)25(31)28-24-23(18-9-3-1-4-10-18)27-22-11-5-8-16-30(22)24/h1,3-5,8-13,16-17H,2,6-7,14-15H2,(H,28,31)
InChIKeyWJSDRXMGKDSXBK-UHFFFAOYSA-N
XLogP4.57
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694666
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 55495018
4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794746
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-fluoro-N'-(2-phenylacetyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 26863667
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37024629
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 55387708) is 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WJSDRXMGKDSXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c26-20-13-12-19(17-21(20)34(32,33)29-14-6-2-7-15-29)25(31)28-24-23(18-9-3-1-4-10-18)27-22-11-5-8-16-30(22)24/h1,3-5,8-13,16-17H,2,6-7,14-15H2,(H,28,31).
What are the key properties of 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 478.55 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55387708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).