1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea

C26H21N5O2S — CID 59823465

IUPAC1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3csc4c(-c5cccnc5)cnc(N)c34)c2)c1
InChIInChI=1S/C26H21N5O2S/c1-33-20-9-3-8-19(12-20)31-26(32)30-18-7-2-5-16(11-18)22-15-34-24-21(14-29-25(27)23(22)24)17-6-4-10-28-13-17/h2-15H,1H3,(H2,27,29)(H2,30,31,32)
InChIKeyUTVLJNYAYZKYFZ-UHFFFAOYSA-N
MW467.55 g/mol
LogP6.26
Rot. Bonds5

About 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea

1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 59823465) has the molecular formula C26H21N5O2S and a molecular weight of 467.55 g/mol. Its IUPAC name is 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea
PubChem CID59823465
Molecular FormulaC26H21N5O2S
Molecular Weight467.55 g/mol
Exact Mass467.14
IUPAC Name1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3csc4c(-c5cccnc5)cnc(N)c34)c2)c1
InChIInChI=1S/C26H21N5O2S/c1-33-20-9-3-8-19(12-20)31-26(32)30-18-7-2-5-16(11-18)22-15-34-24-21(14-29-25(27)23(22)24)17-6-4-10-28-13-17/h2-15H,1H3,(H2,27,29)(H2,30,31,32)
InChIKeyUTVLJNYAYZKYFZ-UHFFFAOYSA-N
XLogP6.26
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea 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 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea (CID 59823465) is 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cccc(-c3csc4c(-c5cccnc5)cnc(N)c34)c2)c1.
What is the InChIKey of 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is UTVLJNYAYZKYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2S/c1-33-20-9-3-8-19(12-20)31-26(32)30-18-7-2-5-16(11-18)22-15-34-24-21(14-29-25(27)23(22)24)17-6-4-10-28-13-17/h2-15H,1H3,(H2,27,29)(H2,30,31,32).
What are the key properties of 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea?
1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 467.55 g/mol, XLogP of 6.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 59823465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).