4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide

C24H21N5O3S2 — CID 122186262

IUPAC4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1
InChIInChI=1S/C24H21N5O3S2/c1-28(2)34(30,31)29-14-17(12-27-29)20-13-26-24(25)22-21(15-33-23(20)22)16-8-10-19(11-9-16)32-18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,25,26)
InChIKeyXKXRWYTYAHDMMA-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.86
Rot. Bonds6

About 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide

4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide (PubChem CID 122186262) has the molecular formula C24H21N5O3S2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide.

Molecular Properties

Compound Name4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide
PubChem CID122186262
Molecular FormulaC24H21N5O3S2
Molecular Weight491.60 g/mol
Exact Mass491.11
IUPAC Name4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1
InChIInChI=1S/C24H21N5O3S2/c1-28(2)34(30,31)29-14-17(12-27-29)20-13-26-24(25)22-21(15-33-23(20)22)16-8-10-19(11-9-16)32-18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,25,26)
InChIKeyXKXRWYTYAHDMMA-UHFFFAOYSA-N
XLogP4.86
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide?
The IUPAC name of 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide (CID 122186262) is 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide.
What is the SMILES notation for 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide?
The canonical SMILES for 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide is CN(C)S(=O)(=O)n1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1.
What is the InChIKey of 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide?
The InChIKey is XKXRWYTYAHDMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S2/c1-28(2)34(30,31)29-14-17(12-27-29)20-13-26-24(25)22-21(15-33-23(20)22)16-8-10-19(11-9-16)32-18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,25,26).
What are the key properties of 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide?
4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide has a molecular weight of 491.60 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide is sourced from PubChem (CID 122186262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).