6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C32H27Cl2FN4O5S — CID 67237760

IUPAC6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCC(=O)N1CCN(C(=O)c2ccc3n(c2=O)C(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N3S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C32H27Cl2FN4O5S/c1-20(40)36-16-18-37(19-17-36)31(41)25-14-15-28-38(32(25)42)29(21-6-10-23(33)11-7-21)30(22-8-12-24(34)13-9-22)39(28)45(43,44)27-5-3-2-4-26(27)35/h2-15,29-30H,16-19H2,1H3
InChIKeyLQNVAAXWJMTPAV-UHFFFAOYSA-N
MW669.56 g/mol
LogP5.14
Rot. Bonds5

About 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 67237760) has the molecular formula C32H27Cl2FN4O5S and a molecular weight of 669.56 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID67237760
Molecular FormulaC32H27Cl2FN4O5S
Molecular Weight669.56 g/mol
Exact Mass668.11
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCC(=O)N1CCN(C(=O)c2ccc3n(c2=O)C(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N3S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C32H27Cl2FN4O5S/c1-20(40)36-16-18-37(19-17-36)31(41)25-14-15-28-38(32(25)42)29(21-6-10-23(33)11-7-21)30(22-8-12-24(34)13-9-22)39(28)45(43,44)27-5-3-2-4-26(27)35/h2-15,29-30H,16-19H2,1H3
InChIKeyLQNVAAXWJMTPAV-UHFFFAOYSA-N
XLogP5.14
TPSA100.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[(2S,3R)-6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-1-yl]sulfonyl]benzoate
CID 121458547
(2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 25051588
(3R)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)-6-(morpholine-4-carbonyl)-5-oxo-2,3-dihydroindolizine-1-sulfinic acid
CID 145493185
(6R)-1-acetyl-4-(2-fluorophenyl)sulfonyl-1,4-diazepane-6-carboxamide
CID 124986027
(4-chloro-2-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16560830
N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 32647585
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 27163251
(2-chloro-4-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38120168
[4-(3-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78873668
1-[4-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 24718477
(5-chloro-2-methoxyphenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26757252
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 4807256

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 67237760) is 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is CC(=O)N1CCN(C(=O)c2ccc3n(c2=O)C(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N3S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is LQNVAAXWJMTPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27Cl2FN4O5S/c1-20(40)36-16-18-37(19-17-36)31(41)25-14-15-28-38(32(25)42)29(21-6-10-23(33)11-7-21)30(22-8-12-24(34)13-9-22)39(28)45(43,44)27-5-3-2-4-26(27)35/h2-15,29-30H,16-19H2,1H3.
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 669.56 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazine-1-carbonyl)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 67237760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).