3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide

C27H30N4O3S — CID 10505227

IUPAC3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(CC(=O)NS(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O3S/c1-5-24-29-26-18(2)15-19(3)28-27(26)31(24)17-20-11-13-22(14-12-20)23(21-9-7-6-8-10-21)16-25(32)30-35(4,33)34/h6-15,23H,5,16-17H2,1-4H3,(H,30,32)
InChIKeyIETLIFYTCVLLRL-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.26
Rot. Bonds8

About 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide

3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide (PubChem CID 10505227) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide
PubChem CID10505227
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(CC(=O)NS(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O3S/c1-5-24-29-26-18(2)15-19(3)28-27(26)31(24)17-20-11-13-22(14-12-20)23(21-9-7-6-8-10-21)16-25(32)30-35(4,33)34/h6-15,23H,5,16-17H2,1-4H3,(H,30,32)
InChIKeyIETLIFYTCVLLRL-UHFFFAOYSA-N
XLogP4.26
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide?
The IUPAC name of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide (CID 10505227) is 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide.
What is the SMILES notation for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide?
The canonical SMILES for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(CC(=O)NS(C)(=O)=O)c2ccccc2)cc1.
What is the InChIKey of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide?
The InChIKey is IETLIFYTCVLLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-5-24-29-26-18(2)15-19(3)28-27(26)31(24)17-20-11-13-22(14-12-20)23(21-9-7-6-8-10-21)16-25(32)30-35(4,33)34/h6-15,23H,5,16-17H2,1-4H3,(H,30,32).
What are the key properties of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide?
3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide has a molecular weight of 490.63 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N-methylsulfonyl-3-phenylpropanamide is sourced from PubChem (CID 10505227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).