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

C21H22ClF3N4O4S — CID 135334929

IUPACN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)C(F)(F)F)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H22ClF3N4O4S/c1-32-18-11-19(33-2)16(22)10-15(18)17-12-29-8-5-14(9-20(29)26-17)28-6-3-13(4-7-28)27-34(30,31)21(23,24)25/h5,8-13,27H,3-4,6-7H2,1-2H3
InChIKeyGMWVTWRILXZAFA-UHFFFAOYSA-N
MW518.95 g/mol
LogP4.08
Rot. Bonds6

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

N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 135334929) has the molecular formula C21H22ClF3N4O4S and a molecular weight of 518.95 g/mol. Its IUPAC name is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID135334929
Molecular FormulaC21H22ClF3N4O4S
Molecular Weight518.95 g/mol
Exact Mass518.10
IUPAC NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)C(F)(F)F)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H22ClF3N4O4S/c1-32-18-11-19(33-2)16(22)10-15(18)17-12-29-8-5-14(9-20(29)26-17)28-6-3-13(4-7-28)27-34(30,31)21(23,24)25/h5,8-13,27H,3-4,6-7H2,1-2H3
InChIKeyGMWVTWRILXZAFA-UHFFFAOYSA-N
XLogP4.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.95
LogP ≤ 54.08
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]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide (CID 135334929) is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide is COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)C(F)(F)F)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]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GMWVTWRILXZAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N4O4S/c1-32-18-11-19(33-2)16(22)10-15(18)17-12-29-8-5-14(9-20(29)26-17)28-6-3-13(4-7-28)27-34(30,31)21(23,24)25/h5,8-13,27H,3-4,6-7H2,1-2H3.
What are the key properties of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide?
N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 518.95 g/mol, XLogP of 4.08, 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]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 135334929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).