6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

C23H32N6O2S — CID 55470803

IUPAC6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)nc1
InChIInChI=1S/C23H32N6O2S/c1-18(2)29(19(3)4)32(30,31)21-8-9-22(24-15-21)27-13-11-26(12-14-27)16-20-17-28-10-6-5-7-23(28)25-20/h5-10,15,17-19H,11-14,16H2,1-4H3
InChIKeyWIAUMYLDQYKINS-UHFFFAOYSA-N
MW456.62 g/mol
LogP2.86
Rot. Bonds7

About 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (PubChem CID 55470803) has the molecular formula C23H32N6O2S and a molecular weight of 456.62 g/mol. Its IUPAC name is 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
PubChem CID55470803
Molecular FormulaC23H32N6O2S
Molecular Weight456.62 g/mol
Exact Mass456.23
IUPAC Name6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)nc1
InChIInChI=1S/C23H32N6O2S/c1-18(2)29(19(3)4)32(30,31)21-8-9-22(24-15-21)27-13-11-26(12-14-27)16-20-17-28-10-6-5-7-23(28)25-20/h5-10,15,17-19H,11-14,16H2,1-4H3
InChIKeyWIAUMYLDQYKINS-UHFFFAOYSA-N
XLogP2.86
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-pentan-3-ylpyridine-3-sulfonamide
CID 55816285
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86915606
2-[[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 18101778
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 22197062
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284
2-[[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 154883251
2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 154830033
2-[[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 163346240
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 4701931
2-ethoxy-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 51080863
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972

Frequently Asked Questions

What is the IUPAC name of 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (CID 55470803) is 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)nc1.
What is the InChIKey of 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The InChIKey is WIAUMYLDQYKINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2S/c1-18(2)29(19(3)4)32(30,31)21-8-9-22(24-15-21)27-13-11-26(12-14-27)16-20-17-28-10-6-5-7-23(28)25-20/h5-10,15,17-19H,11-14,16H2,1-4H3.
What are the key properties of 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide has a molecular weight of 456.62 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 55470803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).