3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one

C17H17NOS — CID 18926391

IUPAC3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one
SMILESCc1c(-c2ccccc2)sc2[nH]cc(C(C)C)c(=O)c12
InChIInChI=1S/C17H17NOS/c1-10(2)13-9-18-17-14(15(13)19)11(3)16(20-17)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19)
InChIKeyWWKVRPOLXMYWIN-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.69
Rot. Bonds2

About 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one

3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one (PubChem CID 18926391) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one
PubChem CID18926391
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one
SMILESCc1c(-c2ccccc2)sc2[nH]cc(C(C)C)c(=O)c12
InChIInChI=1S/C17H17NOS/c1-10(2)13-9-18-17-14(15(13)19)11(3)16(20-17)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19)
InChIKeyWWKVRPOLXMYWIN-UHFFFAOYSA-N
XLogP4.69
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one?
The IUPAC name of 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one (CID 18926391) is 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one.
What is the SMILES notation for 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one?
The canonical SMILES for 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one is Cc1c(-c2ccccc2)sc2[nH]cc(C(C)C)c(=O)c12.
What is the InChIKey of 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one?
The InChIKey is WWKVRPOLXMYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-10(2)13-9-18-17-14(15(13)19)11(3)16(20-17)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19).
What are the key properties of 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one?
3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one has a molecular weight of 283.40 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-5-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one is sourced from PubChem (CID 18926391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).