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

C27H30N4O3S — CID 10390872

IUPACN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(C)C)cc1
InChIInChI=1S/C27H30N4O3S/c1-6-24-29-25-18(4)15-19(5)28-26(25)31(24)16-20-11-13-21(14-12-20)22-9-7-8-10-23(22)35(33,34)30-27(32)17(2)3/h7-15,17H,6,16H2,1-5H3,(H,30,32)
InChIKeySCEHLKHQOXLRJB-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.79
Rot. Bonds7

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

N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide (PubChem CID 10390872) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide
PubChem CID10390872
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(C)C)cc1
InChIInChI=1S/C27H30N4O3S/c1-6-24-29-25-18(4)15-19(5)28-26(25)31(24)16-20-11-13-21(14-12-20)22-9-7-8-10-23(22)35(33,34)30-27(32)17(2)3/h7-15,17H,6,16H2,1-5H3,(H,30,32)
InChIKeySCEHLKHQOXLRJB-UHFFFAOYSA-N
XLogP4.79
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide?
The IUPAC name of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide (CID 10390872) is N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide?
The canonical SMILES for N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(C)C)cc1.
What is the InChIKey of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide?
The InChIKey is SCEHLKHQOXLRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-6-24-29-25-18(4)15-19(5)28-26(25)31(24)16-20-11-13-21(14-12-20)22-9-7-8-10-23(22)35(33,34)30-27(32)17(2)3/h7-15,17H,6,16H2,1-5H3,(H,30,32).
What are the key properties of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide?
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide has a molecular weight of 490.63 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide is sourced from PubChem (CID 10390872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).