3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one

C20H21N5O4S — CID 20930283

IUPAC3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
SMILESCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C20H21N5O4S/c1-13-22-16-4-3-9-21-19(16)25(13)14-7-10-24(11-8-14)30(27,28)15-5-6-17-18(12-15)29-20(26)23(17)2/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyYPDMZGKKIROQKD-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.21
Rot. Bonds3

About 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one

3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one (PubChem CID 20930283) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
PubChem CID20930283
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
SMILESCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C20H21N5O4S/c1-13-22-16-4-3-9-21-19(16)25(13)14-7-10-24(11-8-14)30(27,28)15-5-6-17-18(12-15)29-20(26)23(17)2/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyYPDMZGKKIROQKD-UHFFFAOYSA-N
XLogP2.21
TPSA103.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one 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 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one (CID 20930283) is 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one is Cc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1.
What is the InChIKey of 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
The InChIKey is YPDMZGKKIROQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-13-22-16-4-3-9-21-19(16)25(13)14-7-10-24(11-8-14)30(27,28)15-5-6-17-18(12-15)29-20(26)23(17)2/h3-6,9,12,14H,7-8,10-11H2,1-2H3.
What are the key properties of 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one has a molecular weight of 427.49 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 20930283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).