4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

C28H24FN5O2 — CID 90391058

IUPAC4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESFc1nccc(OCc2ccccc2)c1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C28H24FN5O2/c29-28-26(24(9-11-31-28)36-18-19-4-2-1-3-5-19)20-6-7-23-22(16-20)27(33-32-23)21-8-10-30-25(17-21)34-12-14-35-15-13-34/h1-11,16-17H,12-15,18H2,(H,32,33)
InChIKeyXRQSZHCZPCXZNE-UHFFFAOYSA-N
MW481.53 g/mol
LogP5.24
Rot. Bonds6

About 4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 90391058) has the molecular formula C28H24FN5O2 and a molecular weight of 481.53 g/mol. Its IUPAC name is 4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID90391058
Molecular FormulaC28H24FN5O2
Molecular Weight481.53 g/mol
Exact Mass481.19
IUPAC Name4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESFc1nccc(OCc2ccccc2)c1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C28H24FN5O2/c29-28-26(24(9-11-31-28)36-18-19-4-2-1-3-5-19)20-6-7-23-22(16-20)27(33-32-23)21-8-10-30-25(17-21)34-12-14-35-15-13-34/h1-11,16-17H,12-15,18H2,(H,32,33)
InChIKeyXRQSZHCZPCXZNE-UHFFFAOYSA-N
XLogP5.24
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (CID 90391058) is 4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is Fc1nccc(OCc2ccccc2)c1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is XRQSZHCZPCXZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O2/c29-28-26(24(9-11-31-28)36-18-19-4-2-1-3-5-19)20-6-7-23-22(16-20)27(33-32-23)21-8-10-30-25(17-21)34-12-14-35-15-13-34/h1-11,16-17H,12-15,18H2,(H,32,33).
What are the key properties of 4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 481.53 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 90391058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).