[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

C25H31N5O3S — CID 134056718

IUPAC[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H31N5O3S/c1-20-8-9-21(17-23(20)34(32,33)30-11-4-2-5-12-30)25(31)28-15-13-27(14-16-28)18-22-19-29-10-6-3-7-24(29)26-22/h3,6-10,17,19H,2,4-5,11-16,18H2,1H3
InChIKeyCCQHSXPQIPFRBR-UHFFFAOYSA-N
MW481.62 g/mol
LogP2.78
Rot. Bonds5

About [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 134056718) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID134056718
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC Name[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H31N5O3S/c1-20-8-9-21(17-23(20)34(32,33)30-11-4-2-5-12-30)25(31)28-15-13-27(14-16-28)18-22-19-29-10-6-3-7-24(29)26-22/h3,6-10,17,19H,2,4-5,11-16,18H2,1H3
InChIKeyCCQHSXPQIPFRBR-UHFFFAOYSA-N
XLogP2.78
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 134056660
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 7761611
(4-fluoro-3-piperidin-1-ylsulfonylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 39539144
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2335095
(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2390804
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 134056733
(4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2336694
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
(4-fluorophenyl)-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 47022126
2-[[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 24528669

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (CID 134056718) is [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is Cc1ccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is CCQHSXPQIPFRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-20-8-9-21(17-23(20)34(32,33)30-11-4-2-5-12-30)25(31)28-15-13-27(14-16-28)18-22-19-29-10-6-3-7-24(29)26-22/h3,6-10,17,19H,2,4-5,11-16,18H2,1H3.
What are the key properties of [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 481.62 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 134056718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).