6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine

C17H24ClN5O2S — CID 46977064

IUPAC6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(Cl)cn2c1CN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H24ClN5O2S/c1-14-16(23-12-15(18)4-5-17(23)19-14)13-20-8-10-22(11-9-20)26(24,25)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3
InChIKeyLTWIMZQPMZDXQD-UHFFFAOYSA-N
MW397.93 g/mol
LogP1.75
Rot. Bonds4

About 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine

6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 46977064) has the molecular formula C17H24ClN5O2S and a molecular weight of 397.93 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID46977064
Molecular FormulaC17H24ClN5O2S
Molecular Weight397.93 g/mol
Exact Mass397.13
IUPAC Name6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(Cl)cn2c1CN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H24ClN5O2S/c1-14-16(23-12-15(18)4-5-17(23)19-14)13-20-8-10-22(11-9-20)26(24,25)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3
InChIKeyLTWIMZQPMZDXQD-UHFFFAOYSA-N
XLogP1.75
TPSA61.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 46977064) is 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is Cc1nc2ccc(Cl)cn2c1CN1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is LTWIMZQPMZDXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O2S/c1-14-16(23-12-15(18)4-5-17(23)19-14)13-20-8-10-22(11-9-20)26(24,25)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 397.93 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 46977064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).