1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea

C24H20N6OS — CID 18451073

About 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea

1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea (PubChem CID 18451073) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

• Compound Name: 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
• PubChem CID: 18451073
• Molecular Formula: C24H20N6OS
• Molecular Weight: 440.53 g/mol
• Exact Mass: 440.14
• IUPAC Name: 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
• SMILES: Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1
• InChI: InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)
• InChIKey: UGEJLCNSVIVALC-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 108.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.53
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea?

The IUPAC name of 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea (CID 18451073) is 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea.

What is the SMILES notation for 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea?

The canonical SMILES for 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1.

What is the InChIKey of 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea?

The InChIKey is UGEJLCNSVIVALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31).

What are the key properties of 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea?

1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea has a molecular weight of 440.53 g/mol, XLogP of 5.89, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 18451073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).