1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea

C23H19N7O2 — CID 121416587

About 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea

1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea (PubChem CID 121416587) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea.

Molecular Properties

• Compound Name: 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea
• PubChem CID: 121416587
• Molecular Formula: C23H19N7O2
• Molecular Weight: 425.45 g/mol
• Exact Mass: 425.16
• IUPAC Name: 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea
• SMILES: Cc1cc(-n2ncc3cc(NC(=O)NCc4cccc(-c5ccon5)c4)ncc32)ccn1
• InChI: InChI=1S/C23H19N7O2/c1-15-9-19(5-7-24-15)30-21-14-25-22(11-18(21)13-27-30)28-23(31)26-12-16-3-2-4-17(10-16)20-6-8-32-29-20/h2-11,13-14H,12H2,1H3,(H2,25,26,28,31)
• InChIKey: ZCIBSKVNQWWVQT-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 110.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.45
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea?

The IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea (CID 121416587) is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea.

What is the SMILES notation for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea?

The canonical SMILES for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea is Cc1cc(-n2ncc3cc(NC(=O)NCc4cccc(-c5ccon5)c4)ncc32)ccn1.

What is the InChIKey of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea?

The InChIKey is ZCIBSKVNQWWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-15-9-19(5-7-24-15)30-21-14-25-22(11-18(21)13-27-30)28-23(31)26-12-16-3-2-4-17(10-16)20-6-8-32-29-20/h2-11,13-14H,12H2,1H3,(H2,25,26,28,31).

What are the key properties of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea?

1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea has a molecular weight of 425.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea is sourced from PubChem (CID 121416587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).