1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea

C20H16BrClN6O — CID 134388588

About 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea

1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea (PubChem CID 134388588) has the molecular formula C20H16BrClN6O and a molecular weight of 471.75 g/mol. Its IUPAC name is 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea
• PubChem CID: 134388588
• Molecular Formula: C20H16BrClN6O
• Molecular Weight: 471.75 g/mol
• Exact Mass: 470.03
• IUPAC Name: 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea
• SMILES: Cc1cc(-c2n[nH]c3c(Br)c(NC(=O)NCc4ccc(Cl)cc4)ncc23)ccn1
• InChI: InChI=1S/C20H16BrClN6O/c1-11-8-13(6-7-23-11)17-15-10-24-19(16(21)18(15)28-27-17)26-20(29)25-9-12-2-4-14(22)5-3-12/h2-8,10H,9H2,1H3,(H,27,28)(H2,24,25,26,29)
• InChIKey: RWFDMRWRGOIQNK-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.75
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea?

The IUPAC name of 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea (CID 134388588) is 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea.

What is the SMILES notation for 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea?

The canonical SMILES for 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea is Cc1cc(-c2n[nH]c3c(Br)c(NC(=O)NCc4ccc(Cl)cc4)ncc23)ccn1.

What is the InChIKey of 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea?

The InChIKey is RWFDMRWRGOIQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN6O/c1-11-8-13(6-7-23-11)17-15-10-24-19(16(21)18(15)28-27-17)26-20(29)25-9-12-2-4-14(22)5-3-12/h2-8,10H,9H2,1H3,(H,27,28)(H2,24,25,26,29).

What are the key properties of 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea?

1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea has a molecular weight of 471.75 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-bromo-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-chlorophenyl)methyl]urea is sourced from PubChem (CID 134388588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).