[4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol

C21H18N2O3S2 — CID 91800704

IUPAC[4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol
SMILESCS(=O)(=O)c1cccc(-c2cnc(N)c3c(-c4ccc(CO)cc4)csc23)c1
InChIInChI=1S/C21H18N2O3S2/c1-28(25,26)16-4-2-3-15(9-16)17-10-23-21(22)19-18(12-27-20(17)19)14-7-5-13(11-24)6-8-14/h2-10,12,24H,11H2,1H3,(H2,22,23)
InChIKeyOZOXGERKKPDDIM-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.11
Rot. Bonds4

About [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol

[4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol (PubChem CID 91800704) has the molecular formula C21H18N2O3S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol
PubChem CID91800704
Molecular FormulaC21H18N2O3S2
Molecular Weight410.52 g/mol
Exact Mass410.08
IUPAC Name[4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol
SMILESCS(=O)(=O)c1cccc(-c2cnc(N)c3c(-c4ccc(CO)cc4)csc23)c1
InChIInChI=1S/C21H18N2O3S2/c1-28(25,26)16-4-2-3-15(9-16)17-10-23-21(22)19-18(12-27-20(17)19)14-7-5-13(11-24)6-8-14/h2-10,12,24H,11H2,1H3,(H2,22,23)
InChIKeyOZOXGERKKPDDIM-UHFFFAOYSA-N
XLogP4.11
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol?
The IUPAC name of [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol (CID 91800704) is [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol is CS(=O)(=O)c1cccc(-c2cnc(N)c3c(-c4ccc(CO)cc4)csc23)c1.
What is the InChIKey of [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol?
The InChIKey is OZOXGERKKPDDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S2/c1-28(25,26)16-4-2-3-15(9-16)17-10-23-21(22)19-18(12-27-20(17)19)14-7-5-13(11-24)6-8-14/h2-10,12,24H,11H2,1H3,(H2,22,23).
What are the key properties of [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol?
[4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol has a molecular weight of 410.52 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 91800704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).