1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea

C69H66N22O4 — CID 121418062

About 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea

1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 121418062) has the molecular formula C69H66N22O4 and a molecular weight of 1267.44 g/mol. Its IUPAC name is 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

• Compound Name: 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
• PubChem CID: 121418062
• Molecular Formula: C69H66N22O4
• Molecular Weight: 1267.44 g/mol
• Exact Mass: 1266.56
• IUPAC Name: 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
• SMILES: Cc1cc(-n2ncc3cc(NC(=O)NC45CC6CC(CC(O)(C6)C4)C5)ncc32)ccn1.Cc1cc(-n2ncc3cc(NC(=O)NCc4ccc(-n5cccn5)cc4)ncc32)ccn1.Cc1cc(-n2ncc3cc(NC(=O)NCc4cccc(-n5cccn5)c4)ncc32)ccn1
• InChI: InChI=1S/2C23H20N8O.C23H26N6O2/c1-16-11-20(7-9-24-16)31-21-15-25-22(12-18(21)14-28-31)29-23(32)26-13-17-3-5-19(6-4-17)30-10-2-8-27-30;1-16-10-20(6-8-24-16)31-21-15-25-22(12-18(21)14-28-31)29-23(32)26-13-17-4-2-5-19(11-17)30-9-3-7-27-30;1-14-4-18(2-3-24-14)29-19-12-25-20(6-17(19)11-26-29)27-21(30)28-22-7-15-5-16(8-22)10-23(31,9-15)13-22/h2*2-12,14-15H,13H2,1H3,(H2,25,26,29,32);2-4,6,11-12,15-16,31H,5,7-10,13H2,1H3,(H2,25,27,28,30)
• InChIKey: IVJDQOZEFVEDNS-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 310.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1267.44
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?

The IUPAC name of 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea (CID 121418062) is 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea.

What is the SMILES notation for 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?

The canonical SMILES for 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea is Cc1cc(-n2ncc3cc(NC(=O)NC45CC6CC(CC(O)(C6)C4)C5)ncc32)ccn1.Cc1cc(-n2ncc3cc(NC(=O)NCc4ccc(-n5cccn5)cc4)ncc32)ccn1.Cc1cc(-n2ncc3cc(NC(=O)NCc4cccc(-n5cccn5)c4)ncc32)ccn1.

What is the InChIKey of 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?

The InChIKey is IVJDQOZEFVEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20N8O.C23H26N6O2/c1-16-11-20(7-9-24-16)31-21-15-25-22(12-18(21)14-28-31)29-23(32)26-13-17-3-5-19(6-4-17)30-10-2-8-27-30;1-16-10-20(6-8-24-16)31-21-15-25-22(12-18(21)14-28-31)29-23(32)26-13-17-4-2-5-19(11-17)30-9-3-7-27-30;1-14-4-18(2-3-24-14)29-19-12-25-20(6-17(19)11-26-29)27-21(30)28-22-7-15-5-16(8-22)10-23(31,9-15)13-22/h2*2-12,14-15H,13H2,1H3,(H2,25,26,29,32);2-4,6,11-12,15-16,31H,5,7-10,13H2,1H3,(H2,25,27,28,30).

What are the key properties of 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?

1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 1267.44 g/mol, XLogP of 10.59, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-hydroxy-1-adamantyl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 121418062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).