methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

C35H43N9O5 — CID 44605248

About methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (PubChem CID 44605248) has the molecular formula C35H43N9O5 and a molecular weight of 669.79 g/mol. Its IUPAC name is methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
• PubChem CID: 44605248
• Molecular Formula: C35H43N9O5
• Molecular Weight: 669.79 g/mol
• Exact Mass: 669.34
• IUPAC Name: methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
• SMILES: COC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(CCN6CCOCC6)cc5)cc4)nc32)CC1
• InChI: InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45)
• InChIKey: BZXCVHXYXYFXQP-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 139.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.79
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?

The IUPAC name of methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (CID 44605248) is methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?

The canonical SMILES for methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is COC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(CCN6CCOCC6)cc5)cc4)nc32)CC1.

What is the InChIKey of methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?

The InChIKey is BZXCVHXYXYFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45).

What are the key properties of methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?

methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate has a molecular weight of 669.79 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[4-morpholin-4-yl-6-[4-[[4-(2-morpholin-4-ylethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 44605248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).