[3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol

C20H22FNOS — CID 15137079

IUPAC[3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol
SMILESCCc1c(C)sc2nc(C(C)C)c(CO)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H22FNOS/c1-5-15-12(4)24-20-18(15)17(13-6-8-14(21)9-7-13)16(10-23)19(22-20)11(2)3/h6-9,11,23H,5,10H2,1-4H3
InChIKeyCGPBEVMNJVANHA-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.59
Rot. Bonds4

About [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol

[3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol (PubChem CID 15137079) has the molecular formula C20H22FNOS and a molecular weight of 343.47 g/mol. Its IUPAC name is [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol
PubChem CID15137079
Molecular FormulaC20H22FNOS
Molecular Weight343.47 g/mol
Exact Mass343.14
IUPAC Name[3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol
SMILESCCc1c(C)sc2nc(C(C)C)c(CO)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H22FNOS/c1-5-15-12(4)24-20-18(15)17(13-6-8-14(21)9-7-13)16(10-23)19(22-20)11(2)3/h6-9,11,23H,5,10H2,1-4H3
InChIKeyCGPBEVMNJVANHA-UHFFFAOYSA-N
XLogP5.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol 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-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol?
The IUPAC name of [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol (CID 15137079) is [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol.
What is the SMILES notation for [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol?
The canonical SMILES for [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol is CCc1c(C)sc2nc(C(C)C)c(CO)c(-c3ccc(F)cc3)c12.
What is the InChIKey of [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol?
The InChIKey is CGPBEVMNJVANHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNOS/c1-5-15-12(4)24-20-18(15)17(13-6-8-14(21)9-7-13)16(10-23)19(22-20)11(2)3/h6-9,11,23H,5,10H2,1-4H3.
What are the key properties of [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol?
[3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol has a molecular weight of 343.47 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(4-fluorophenyl)-2-methyl-6-propan-2-ylthieno[2,3-b]pyridin-5-yl]methanol is sourced from PubChem (CID 15137079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).