1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea

C30H40N8O3Si — CID 175908749

About 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea

1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea (PubChem CID 175908749) has the molecular formula C30H40N8O3Si and a molecular weight of 588.79 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea
• PubChem CID: 175908749
• Molecular Formula: C30H40N8O3Si
• Molecular Weight: 588.79 g/mol
• Exact Mass: 588.30
• IUPAC Name: 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea
• SMILES: Cc1cn(OCC[Si](C)(C)C)nc1-n1ncc2c(-c3ccc(NC(=O)NC4CC4)cc3)cc(N3CCOC[C@H]3C)nc21
• InChI: InChI=1S/C30H40N8O3Si/c1-20-18-37(41-14-15-42(3,4)5)35-28(20)38-29-26(17-31-38)25(16-27(34-29)36-12-13-40-19-21(36)2)22-6-8-23(9-7-22)32-30(39)33-24-10-11-24/h6-9,16-18,21,24H,10-15,19H2,1-5H3,(H2,32,33,39)/t21-/m1/s1
• InChIKey: FBSZWTOJMKXFKF-OAQYLSRUSA-N
• XLogP: 4.87
• TPSA: 111.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.79
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea?

The IUPAC name of 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea (CID 175908749) is 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea.

What is the SMILES notation for 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea?

The canonical SMILES for 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea is Cc1cn(OCC[Si](C)(C)C)nc1-n1ncc2c(-c3ccc(NC(=O)NC4CC4)cc3)cc(N3CCOC[C@H]3C)nc21.

What is the InChIKey of 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea?

The InChIKey is FBSZWTOJMKXFKF-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H40N8O3Si/c1-20-18-37(41-14-15-42(3,4)5)35-28(20)38-29-26(17-31-38)25(16-27(34-29)36-12-13-40-19-21(36)2)22-6-8-23(9-7-22)32-30(39)33-24-10-11-24/h6-9,16-18,21,24H,10-15,19H2,1-5H3,(H2,32,33,39)/t21-/m1/s1.

What are the key properties of 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea?

1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea has a molecular weight of 588.79 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea is sourced from PubChem (CID 175908749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).