1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea

C78H89N25O9 — CID 87605943

About 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea

1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea (PubChem CID 87605943) has the molecular formula C78H89N25O9 and a molecular weight of 1520.74 g/mol. Its IUPAC name is 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
• PubChem CID: 87605943
• Molecular Formula: C78H89N25O9
• Molecular Weight: 1520.74 g/mol
• Exact Mass: 1519.73
• IUPAC Name: 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
• SMILES: CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCC(O)CC4)c3n2)cc1.CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)c5ccncc5)CC4)c3n2)cc1.NC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)c5cccnc5)CC4)c3n2)cc1
• InChI: InChI=1S/C28H31N9O3.C27H29N9O3.C23H29N7O3/c1-29-28(39)32-21-4-2-19(3-5-21)24-33-25(35-14-16-40-17-15-35)23-18-31-37(26(23)34-24)22-8-12-36(13-9-22)27(38)20-6-10-30-11-7-20;28-27(38)31-20-5-3-18(4-6-20)23-32-24(34-12-14-39-15-13-34)22-17-30-36(25(22)33-23)21-7-10-35(11-8-21)26(37)19-2-1-9-29-16-19;1-24-23(32)26-16-4-2-15(3-5-16)20-27-21(29-10-12-33-13-11-29)19-14-25-30(22(19)28-20)17-6-8-18(31)9-7-17/h2-7,10-11,18,22H,8-9,12-17H2,1H3,(H2,29,32,39);1-6,9,16-17,21H,7-8,10-15H2,(H3,28,31,38);2-5,14,17-18,31H,6-13H2,1H3,(H2,24,26,32)
• InChIKey: LFKRXNOYLXPMDY-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 392.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1520.74
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea?

The IUPAC name of 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea (CID 87605943) is 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea.

What is the SMILES notation for 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea?

The canonical SMILES for 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea is CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCC(O)CC4)c3n2)cc1.CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)c5ccncc5)CC4)c3n2)cc1.NC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)c5cccnc5)CC4)c3n2)cc1.

What is the InChIKey of 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea?

The InChIKey is LFKRXNOYLXPMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N9O3.C27H29N9O3.C23H29N7O3/c1-29-28(39)32-21-4-2-19(3-5-21)24-33-25(35-14-16-40-17-15-35)23-18-31-37(26(23)34-24)22-8-12-36(13-9-22)27(38)20-6-10-30-11-7-20;28-27(38)31-20-5-3-18(4-6-20)23-32-24(34-12-14-39-15-13-34)22-17-30-36(25(22)33-23)21-7-10-35(11-8-21)26(37)19-2-1-9-29-16-19;1-24-23(32)26-16-4-2-15(3-5-16)20-27-21(29-10-12-33-13-11-29)19-14-25-30(22(19)28-20)17-6-8-18(31)9-7-17/h2-7,10-11,18,22H,8-9,12-17H2,1H3,(H2,29,32,39);1-6,9,16-17,21H,7-8,10-15H2,(H3,28,31,38);2-5,14,17-18,31H,6-13H2,1H3,(H2,24,26,32).

What are the key properties of 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea?

1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea has a molecular weight of 1520.74 g/mol, XLogP of 8.20, 14 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-(4-hydroxycyclohexyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;[4-[4-morpholin-4-yl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea is sourced from PubChem (CID 87605943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).