N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide

C21H25ClN4O4S — CID 135335017

IUPACN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H25ClN4O4S/c1-29-19-12-20(30-2)17(22)11-16(19)18-13-26-9-6-15(10-21(26)23-18)25-7-4-14(5-8-25)24-31(3,27)28/h6,9-14,24H,4-5,7-8H2,1-3H3
InChIKeyNRTAUPXLLLGQPW-UHFFFAOYSA-N
MW464.98 g/mol
LogP3.19
Rot. Bonds6

About N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide

N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 135335017) has the molecular formula C21H25ClN4O4S and a molecular weight of 464.98 g/mol. Its IUPAC name is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide
PubChem CID135335017
Molecular FormulaC21H25ClN4O4S
Molecular Weight464.98 g/mol
Exact Mass464.13
IUPAC NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H25ClN4O4S/c1-29-19-12-20(30-2)17(22)11-16(19)18-13-26-9-6-15(10-21(26)23-18)25-7-4-14(5-8-25)24-31(3,27)28/h6,9-14,24H,4-5,7-8H2,1-3H3
InChIKeyNRTAUPXLLLGQPW-UHFFFAOYSA-N
XLogP3.19
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide (CID 135335017) is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide is COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)cc3n2)cc1Cl.
What is the InChIKey of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is NRTAUPXLLLGQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O4S/c1-29-19-12-20(30-2)17(22)11-16(19)18-13-26-9-6-15(10-21(26)23-18)25-7-4-14(5-8-25)24-31(3,27)28/h6,9-14,24H,4-5,7-8H2,1-3H3.
What are the key properties of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 464.98 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 135335017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).