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

C23H29ClN4O4S — CID 135335099

IUPACN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1
InChIInChI=1S/C23H29ClN4O4S/c1-4-11-33(29,30)26-16-5-8-27(9-6-16)17-7-10-28-15-20(25-23(28)12-17)18-13-19(24)22(32-3)14-21(18)31-2/h7,10,12-16,26H,4-6,8-9,11H2,1-3H3
InChIKeyOPKXTBBEFVQFRX-UHFFFAOYSA-N
MW493.03 g/mol
LogP3.97
Rot. Bonds8

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

N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 135335099) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID135335099
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1
InChIInChI=1S/C23H29ClN4O4S/c1-4-11-33(29,30)26-16-5-8-27(9-6-16)17-7-10-28-15-20(25-23(28)12-17)18-13-19(24)22(32-3)14-21(18)31-2/h7,10,12-16,26H,4-6,8-9,11H2,1-3H3
InChIKeyOPKXTBBEFVQFRX-UHFFFAOYSA-N
XLogP3.97
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 53.97
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]propane-1-sulfonamide?
The IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide (CID 135335099) is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1.
What is the InChIKey of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is OPKXTBBEFVQFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c1-4-11-33(29,30)26-16-5-8-27(9-6-16)17-7-10-28-15-20(25-23(28)12-17)18-13-19(24)22(32-3)14-21(18)31-2/h7,10,12-16,26H,4-6,8-9,11H2,1-3H3.
What are the key properties of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 493.03 g/mol, XLogP of 3.97, 8 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]propane-1-sulfonamide is sourced from PubChem (CID 135335099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).