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

C23H18N4OS — CID 122186256

IUPAC7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCn1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1
InChIInChI=1S/C23H18N4OS/c1-27-13-16(11-26-27)19-12-25-23(24)21-20(14-29-22(19)21)15-7-9-18(10-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,25)
InChIKeyCLNLVLABGKSUTI-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.74
Rot. Bonds4

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

7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 122186256) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID122186256
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC Name7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCn1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1
InChIInChI=1S/C23H18N4OS/c1-27-13-16(11-26-27)19-12-25-23(24)21-20(14-29-22(19)21)15-7-9-18(10-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,25)
InChIKeyCLNLVLABGKSUTI-UHFFFAOYSA-N
XLogP5.74
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 122186256) is 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is Cn1cc(-c2cnc(N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is CLNLVLABGKSUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-27-13-16(11-26-27)19-12-25-23(24)21-20(14-29-22(19)21)15-7-9-18(10-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,25).
What are the key properties of 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 398.49 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 122186256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).