4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine

C35H29F2N5O2 — CID 140800637

About 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine

4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 140800637) has the molecular formula C35H29F2N5O2 and a molecular weight of 589.65 g/mol. Its IUPAC name is 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
• PubChem CID: 140800637
• Molecular Formula: C35H29F2N5O2
• Molecular Weight: 589.65 g/mol
• Exact Mass: 589.23
• IUPAC Name: 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
• SMILES: FC(F)Oc1cc2c(-c3ccnc(N4CCOCC4)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cn1
• InChI: InChI=1S/C35H29F2N5O2/c36-34(37)44-32-23-29-30(24-39-32)42(40-33(29)25-16-17-38-31(22-25)41-18-20-43-21-19-41)35(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-17,22-24,34H,18-21H2
• InChIKey: TVZUPFRBHFCZLF-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.65
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?

The IUPAC name of 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 140800637) is 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine.

What is the SMILES notation for 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?

The canonical SMILES for 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine is FC(F)Oc1cc2c(-c3ccnc(N4CCOCC4)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cn1.

What is the InChIKey of 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?

The InChIKey is TVZUPFRBHFCZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F2N5O2/c36-34(37)44-32-23-29-30(24-39-32)42(40-33(29)25-16-17-38-31(22-25)41-18-20-43-21-19-41)35(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-17,22-24,34H,18-21H2.

What are the key properties of 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?

4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 589.65 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-(difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 140800637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).