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

C24H20N4OS — CID 122186257

IUPAC7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCCn1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1
InChIInChI=1S/C24H20N4OS/c1-2-28-14-17(12-27-28)20-13-26-24(25)22-21(15-30-23(20)22)16-8-10-19(11-9-16)29-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H2,25,26)
InChIKeyQWZNMBNNYHYEKF-UHFFFAOYSA-N
MW412.52 g/mol
LogP6.22
Rot. Bonds5

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

7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 122186257) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID122186257
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC Name7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCCn1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1
InChIInChI=1S/C24H20N4OS/c1-2-28-14-17(12-27-28)20-13-26-24(25)22-21(15-30-23(20)22)16-8-10-19(11-9-16)29-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H2,25,26)
InChIKeyQWZNMBNNYHYEKF-UHFFFAOYSA-N
XLogP6.22
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 122186257) is 7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is CCn1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1.
What is the InChIKey of 7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is QWZNMBNNYHYEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-2-28-14-17(12-27-28)20-13-26-24(25)22-21(15-30-23(20)22)16-8-10-19(11-9-16)29-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H2,25,26).
What are the key properties of 7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 412.52 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 122186257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).