1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone

C24H28N4O3S — CID 158276775

IUPAC1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
SMILESCc1nc2c(Nc3ccccc3S(C)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1
InChIInChI=1S/C24H28N4O3S/c1-15-25-23-19(27-18-7-3-4-8-21(18)32(2)30)13-17(14-20(29)16-10-11-16)26-24(23)28(15)22-9-5-6-12-31-22/h3-4,7-8,13,16,22H,5-6,9-12,14H2,1-2H3,(H,26,27)
InChIKeyPGFUZOFFLJDKSA-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.44
Rot. Bonds7

About 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone

1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone (PubChem CID 158276775) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
PubChem CID158276775
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
SMILESCc1nc2c(Nc3ccccc3S(C)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1
InChIInChI=1S/C24H28N4O3S/c1-15-25-23-19(27-18-7-3-4-8-21(18)32(2)30)13-17(14-20(29)16-10-11-16)26-24(23)28(15)22-9-5-6-12-31-22/h3-4,7-8,13,16,22H,5-6,9-12,14H2,1-2H3,(H,26,27)
InChIKeyPGFUZOFFLJDKSA-UHFFFAOYSA-N
XLogP4.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone (CID 158276775) is 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone is Cc1nc2c(Nc3ccccc3S(C)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1.
What is the InChIKey of 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?
The InChIKey is PGFUZOFFLJDKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-15-25-23-19(27-18-7-3-4-8-21(18)32(2)30)13-17(14-20(29)16-10-11-16)26-24(23)28(15)22-9-5-6-12-31-22/h3-4,7-8,13,16,22H,5-6,9-12,14H2,1-2H3,(H,26,27).
What are the key properties of 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?
1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone has a molecular weight of 452.58 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 158276775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).