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

C20H24FN7O — CID 141218948

IUPAC4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)ncnc43)CC2)cn1
InChIInChI=1S/C20H24FN7O/c21-18-2-1-15(11-22-18)13-26-5-3-16(4-6-26)28-20-17(12-25-28)19(23-14-24-20)27-7-9-29-10-8-27/h1-2,11-12,14,16H,3-10,13H2
InChIKeyZKCHAVZVYFJOHI-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.03
Rot. Bonds4

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

4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 141218948) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID141218948
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC Name4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)ncnc43)CC2)cn1
InChIInChI=1S/C20H24FN7O/c21-18-2-1-15(11-22-18)13-26-5-3-16(4-6-26)28-20-17(12-25-28)19(23-14-24-20)27-7-9-29-10-8-27/h1-2,11-12,14,16H,3-10,13H2
InChIKeyZKCHAVZVYFJOHI-UHFFFAOYSA-N
XLogP2.03
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 141218948) is 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-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]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is Fc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)ncnc43)CC2)cn1.
What is the InChIKey of 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is ZKCHAVZVYFJOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c21-18-2-1-15(11-22-18)13-26-5-3-16(4-6-26)28-20-17(12-25-28)19(23-14-24-20)27-7-9-29-10-8-27/h1-2,11-12,14,16H,3-10,13H2.
What are the key properties of 4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 397.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 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]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 141218948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).