[6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol

C18H16FNOS — CID 176565798

IUPAC[6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol
SMILESCc1cc2c(-c3ccc(F)cc3)c(CO)c(C3CC3)nc2s1
InChIInChI=1S/C18H16FNOS/c1-10-8-14-16(11-4-6-13(19)7-5-11)15(9-21)17(12-2-3-12)20-18(14)22-10/h4-8,12,21H,2-3,9H2,1H3
InChIKeyZLZMIJVQXXRGKE-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.78
Rot. Bonds3

About [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol

[6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol (PubChem CID 176565798) has the molecular formula C18H16FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol
PubChem CID176565798
Molecular FormulaC18H16FNOS
Molecular Weight313.40 g/mol
Exact Mass313.09
IUPAC Name[6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol
SMILESCc1cc2c(-c3ccc(F)cc3)c(CO)c(C3CC3)nc2s1
InChIInChI=1S/C18H16FNOS/c1-10-8-14-16(11-4-6-13(19)7-5-11)15(9-21)17(12-2-3-12)20-18(14)22-10/h4-8,12,21H,2-3,9H2,1H3
InChIKeyZLZMIJVQXXRGKE-UHFFFAOYSA-N
XLogP4.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol
CID 15099515
[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol
CID 20586691
ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol
CID 143804502
2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline
CID 87120778
[4-(4-fluorophenyl)-2-propylquinolin-3-yl]methanol
CID 15125323
(E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-ol
CID 15480490
bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane
CID 142709376
2-cyclopropyl-3-(diethoxyphosphorylmethyl)-4-(4-fluorophenyl)quinoline
CID 46897065
[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol
CID 22481032
[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol
CID 15099516
5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane
CID 176565681
2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-amine
CID 163732207

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol?
The IUPAC name of [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol (CID 176565798) is [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol.
What is the SMILES notation for [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol?
The canonical SMILES for [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol is Cc1cc2c(-c3ccc(F)cc3)c(CO)c(C3CC3)nc2s1.
What is the InChIKey of [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol?
The InChIKey is ZLZMIJVQXXRGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c1-10-8-14-16(11-4-6-13(19)7-5-11)15(9-21)17(12-2-3-12)20-18(14)22-10/h4-8,12,21H,2-3,9H2,1H3.
What are the key properties of [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol?
[6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol has a molecular weight of 313.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol is sourced from PubChem (CID 176565798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).