ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate

C24H28ClN5O5S — CID 22485157

IUPACethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate
SMILESCCC/C=C/S(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(N(C)C(=O)OCC)cc3Cl)c2n1
InChIInChI=1S/C24H28ClN5O5S/c1-5-7-8-13-36(33,34)28-23(31)21-12-11-20-22(27-21)30(16(3)26-20)15-17-9-10-18(14-19(17)25)29(4)24(32)35-6-2/h8-14H,5-7,15H2,1-4H3,(H,28,31)/b13-8+
InChIKeyHILYJAKJLIFONK-MDWZMJQESA-N
MW534.04 g/mol
LogP4.41
Rot. Bonds9

About ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate

ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate (PubChem CID 22485157) has the molecular formula C24H28ClN5O5S and a molecular weight of 534.04 g/mol. Its IUPAC name is ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate
PubChem CID22485157
Molecular FormulaC24H28ClN5O5S
Molecular Weight534.04 g/mol
Exact Mass533.15
IUPAC Nameethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate
SMILESCCC/C=C/S(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(N(C)C(=O)OCC)cc3Cl)c2n1
InChIInChI=1S/C24H28ClN5O5S/c1-5-7-8-13-36(33,34)28-23(31)21-12-11-20-22(27-21)30(16(3)26-20)15-17-9-10-18(14-19(17)25)29(4)24(32)35-6-2/h8-14H,5-7,15H2,1-4H3,(H,28,31)/b13-8+
InChIKeyHILYJAKJLIFONK-MDWZMJQESA-N
XLogP4.41
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.04
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate (CID 22485157) is ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate is CCC/C=C/S(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(N(C)C(=O)OCC)cc3Cl)c2n1.
What is the InChIKey of ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate?
The InChIKey is HILYJAKJLIFONK-MDWZMJQESA-N. The full InChI is InChI=1S/C24H28ClN5O5S/c1-5-7-8-13-36(33,34)28-23(31)21-12-11-20-22(27-21)30(16(3)26-20)15-17-9-10-18(14-19(17)25)29(4)24(32)35-6-2/h8-14H,5-7,15H2,1-4H3,(H,28,31)/b13-8+.
What are the key properties of ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate?
ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate has a molecular weight of 534.04 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 22485157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).