7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

C26H24N4OS — CID 122186258

IUPAC7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCCCCn1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1
InChIInChI=1S/C26H24N4OS/c1-2-3-13-30-16-19(14-29-30)22-15-28-26(27)24-23(17-32-25(22)24)18-9-11-21(12-10-18)31-20-7-5-4-6-8-20/h4-12,14-17H,2-3,13H2,1H3,(H2,27,28)
InChIKeyXWDYJBNCEPTNNC-UHFFFAOYSA-N
MW440.57 g/mol
LogP7.00
Rot. Bonds7

About 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 122186258) has the molecular formula C26H24N4OS and a molecular weight of 440.57 g/mol. Its IUPAC name is 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID122186258
Molecular FormulaC26H24N4OS
Molecular Weight440.57 g/mol
Exact Mass440.17
IUPAC Name7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCCCCn1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1
InChIInChI=1S/C26H24N4OS/c1-2-3-13-30-16-19(14-29-30)22-15-28-26(27)24-23(17-32-25(22)24)18-9-11-21(12-10-18)31-20-7-5-4-6-8-20/h4-12,14-17H,2-3,13H2,1H3,(H2,27,28)
InChIKeyXWDYJBNCEPTNNC-UHFFFAOYSA-N
XLogP7.00
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 122186258) is 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is CCCCn1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1.
What is the InChIKey of 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is XWDYJBNCEPTNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4OS/c1-2-3-13-30-16-19(14-29-30)22-15-28-26(27)24-23(17-32-25(22)24)18-9-11-21(12-10-18)31-20-7-5-4-6-8-20/h4-12,14-17H,2-3,13H2,1H3,(H2,27,28).
What are the key properties of 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 440.57 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 122186258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).