4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

C22H20FN5O2 — CID 90400933

IUPAC4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCOc1ccncc1-c1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F
InChIInChI=1S/C22H20FN5O2/c1-29-20-3-4-24-13-17(20)15-11-16-19(12-18(15)23)26-27-22(16)14-2-5-25-21(10-14)28-6-8-30-9-7-28/h2-5,10-13H,6-9H2,1H3,(H,26,27)
InChIKeyOXRDRXBVTAMHTA-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.67
Rot. Bonds4

About 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 90400933) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID90400933
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCOc1ccncc1-c1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F
InChIInChI=1S/C22H20FN5O2/c1-29-20-3-4-24-13-17(20)15-11-16-19(12-18(15)23)26-27-22(16)14-2-5-25-21(10-14)28-6-8-30-9-7-28/h2-5,10-13H,6-9H2,1H3,(H,26,27)
InChIKeyOXRDRXBVTAMHTA-UHFFFAOYSA-N
XLogP3.67
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (CID 90400933) is 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is COc1ccncc1-c1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F.
What is the InChIKey of 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is OXRDRXBVTAMHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-29-20-3-4-24-13-17(20)15-11-16-19(12-18(15)23)26-27-22(16)14-2-5-25-21(10-14)28-6-8-30-9-7-28/h2-5,10-13H,6-9H2,1H3,(H,26,27).
What are the key properties of 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 405.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-fluoro-5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 90400933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).