(4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone

C25H30N4O3S — CID 56848415

IUPAC(4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)C4CCCCC4)CC3)cn2c1-c1ccccc1
InChIInChI=1S/C25H30N4O3S/c1-19-24(20-8-4-2-5-9-20)29-18-21(12-13-23(29)26-19)25(30)27-14-16-28(17-15-27)33(31,32)22-10-6-3-7-11-22/h2,4-5,8-9,12-13,18,22H,3,6-7,10-11,14-17H2,1H3
InChIKeyZVFKZAHQMMIFBC-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.73
Rot. Bonds4

About (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone

(4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone (PubChem CID 56848415) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone
PubChem CID56848415
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name(4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)C4CCCCC4)CC3)cn2c1-c1ccccc1
InChIInChI=1S/C25H30N4O3S/c1-19-24(20-8-4-2-5-9-20)29-18-21(12-13-23(29)26-19)25(30)27-14-16-28(17-15-27)33(31,32)22-10-6-3-7-11-22/h2,4-5,8-9,12-13,18,22H,3,6-7,10-11,14-17H2,1H3
InChIKeyZVFKZAHQMMIFBC-UHFFFAOYSA-N
XLogP3.73
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone with MolForge

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Related Compounds

[2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 56848262
(2-methylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 110704149
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
(2-methylimidazo[1,2-a]pyridin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 110704151
[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 56848366
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 30102573
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 84614360
4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde
CID 110704162
[4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 90589173
(4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone
CID 146079211
(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476155

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone?
The IUPAC name of (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone (CID 56848415) is (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone.
What is the SMILES notation for (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone?
The canonical SMILES for (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone is Cc1nc2ccc(C(=O)N3CCN(S(=O)(=O)C4CCCCC4)CC3)cn2c1-c1ccccc1.
What is the InChIKey of (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone?
The InChIKey is ZVFKZAHQMMIFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-19-24(20-8-4-2-5-9-20)29-18-21(12-13-23(29)26-19)25(30)27-14-16-28(17-15-27)33(31,32)22-10-6-3-7-11-22/h2,4-5,8-9,12-13,18,22H,3,6-7,10-11,14-17H2,1H3.
What are the key properties of (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone?
(4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone has a molecular weight of 466.61 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone is sourced from PubChem (CID 56848415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).