4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C28H29FN8O — CID 69270551

About 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 69270551) has the molecular formula C28H29FN8O and a molecular weight of 512.59 g/mol. Its IUPAC name is 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
• PubChem CID: 69270551
• Molecular Formula: C28H29FN8O
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.24
• IUPAC Name: 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
• SMILES: Fc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)cn1
• InChI: InChI=1S/C28H29FN8O/c29-25-4-1-19(16-31-25)18-35-9-6-22(7-10-35)37-28-23(17-32-37)27(36-11-13-38-14-12-36)33-26(34-28)21-2-3-24-20(15-21)5-8-30-24/h1-5,8,15-17,22,30H,6-7,9-14,18H2
• InChIKey: JNEIDDOXCWHYKR-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 87.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 69270551) is 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is Fc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)cn1.

What is the InChIKey of 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?

The InChIKey is JNEIDDOXCWHYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN8O/c29-25-4-1-19(16-31-25)18-35-9-6-22(7-10-35)37-28-23(17-32-37)27(36-11-13-38-14-12-36)33-26(34-28)21-2-3-24-20(15-21)5-8-30-24/h1-5,8,15-17,22,30H,6-7,9-14,18H2.

What are the key properties of 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?

4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 512.59 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-6-(1H-indol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 69270551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).