[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol

C19H17ClF2N2O2S — CID 138610473

IUPAC[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol
SMILESCc1cc(Cl)cc(-c2ccnc3c(F)c(CO)sc23)c1O[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C19H17ClF2N2O2S/c1-9-4-10(20)5-12(18(9)26-14-7-23-6-13(14)21)11-2-3-24-17-16(22)15(8-25)27-19(11)17/h2-5,13-14,23,25H,6-8H2,1H3/t13-,14+/m0/s1
InChIKeyMCPAFGOZLZCAED-UONOGXRCSA-N
MW410.87 g/mol
LogP4.25
Rot. Bonds4

About [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol

[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol (PubChem CID 138610473) has the molecular formula C19H17ClF2N2O2S and a molecular weight of 410.87 g/mol. Its IUPAC name is [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol
PubChem CID138610473
Molecular FormulaC19H17ClF2N2O2S
Molecular Weight410.87 g/mol
Exact Mass410.07
IUPAC Name[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol
SMILESCc1cc(Cl)cc(-c2ccnc3c(F)c(CO)sc23)c1O[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C19H17ClF2N2O2S/c1-9-4-10(20)5-12(18(9)26-14-7-23-6-13(14)21)11-2-3-24-17-16(22)15(8-25)27-19(11)17/h2-5,13-14,23,25H,6-8H2,1H3/t13-,14+/m0/s1
InChIKeyMCPAFGOZLZCAED-UONOGXRCSA-N
XLogP4.25
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 138609820
7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-2-[(3,3,4,4-tetradeuteriopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridine
CID 155004889
1-[(1S)-1-[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propyl]pyrrolidine-2,5-dione
CID 138610206
3-[[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione
CID 138610070
3-[[7-[5-chloro-2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 138609882
3-[[7-[5-chloro-2-[(3S,4R)-4-fluoropiperidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 138610033
3-[[7-[5-chloro-2-[(3S,4S)-4-(difluoromethyl)pyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 138610351
3-[[7-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione
CID 146445262
3-[[7-(5-chloro-2,3-dimethylphenyl)-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione
CID 146478778
3-[[7-[5-chloro-2-[(3R,4S)-4-methoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 138609921
3-[[7-[2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 138610585
[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138610055

Frequently Asked Questions

What is the IUPAC name of [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol (CID 138610473) is [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol is Cc1cc(Cl)cc(-c2ccnc3c(F)c(CO)sc23)c1O[C@@H]1CNC[C@@H]1F.
What is the InChIKey of [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol?
The InChIKey is MCPAFGOZLZCAED-UONOGXRCSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2S/c1-9-4-10(20)5-12(18(9)26-14-7-23-6-13(14)21)11-2-3-24-17-16(22)15(8-25)27-19(11)17/h2-5,13-14,23,25H,6-8H2,1H3/t13-,14+/m0/s1.
What are the key properties of [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol?
[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol has a molecular weight of 410.87 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 138610473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).