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

C27H28N4O3S — CID 10028460

IUPACN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1
InChIInChI=1S/C27H28N4O3S/c1-4-24-29-25-17(2)15-18(3)28-26(25)31(24)16-19-9-11-20(12-10-19)22-7-5-6-8-23(22)35(33,34)30-27(32)21-13-14-21/h5-12,15,21H,4,13-14,16H2,1-3H3,(H,30,32)
InChIKeyJENZPYDHWXKKEP-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.54
Rot. Bonds7

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

N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide (PubChem CID 10028460) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
PubChem CID10028460
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1
InChIInChI=1S/C27H28N4O3S/c1-4-24-29-25-17(2)15-18(3)28-26(25)31(24)16-19-9-11-20(12-10-19)22-7-5-6-8-23(22)35(33,34)30-27(32)21-13-14-21/h5-12,15,21H,4,13-14,16H2,1-3H3,(H,30,32)
InChIKeyJENZPYDHWXKKEP-UHFFFAOYSA-N
XLogP4.54
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.54
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]sulfonylcyclopropanecarboxamide?
The IUPAC name of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide (CID 10028460) is N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
The InChIKey is JENZPYDHWXKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-4-24-29-25-17(2)15-18(3)28-26(25)31(24)16-19-9-11-20(12-10-19)22-7-5-6-8-23(22)35(33,34)30-27(32)21-13-14-21/h5-12,15,21H,4,13-14,16H2,1-3H3,(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]sulfonylcyclopropanecarboxamide?
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide has a molecular weight of 488.61 g/mol, XLogP of 4.54, 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]sulfonylcyclopropanecarboxamide is sourced from PubChem (CID 10028460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).