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

C22H20FN5O2 — CID 90400745

IUPAC4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCOc1ccnc(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C22H20FN5O2/c1-29-18-5-7-25-22(23)20(18)14-2-3-17-16(12-14)21(27-26-17)15-4-6-24-19(13-15)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H,26,27)
InChIKeyGGEHOODAQAMUQX-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.67
Rot. Bonds4

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

4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 90400745) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID90400745
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCOc1ccnc(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C22H20FN5O2/c1-29-18-5-7-25-22(23)20(18)14-2-3-17-16(12-14)21(27-26-17)15-4-6-24-19(13-15)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H,26,27)
InChIKeyGGEHOODAQAMUQX-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

Computed Properties (RDKit)

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

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

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Related Compounds

5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 144697519
1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 90400749
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine
CID 85472354
2-methyl-1-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]propan-2-ol
CID 90400992
4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen
CID 142499116
3-(2-morpholin-4-yl-4-pyridinyl)-1,6-dihydropyrazolo[3,4-c]pyridin-5-one
CID 144795365
4-[4-(6-phenyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 90400805
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol
CID 90400720
4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400995
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde
CID 90400719

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (CID 90400745) is 4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is COc1ccnc(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is GGEHOODAQAMUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-29-18-5-7-25-22(23)20(18)14-2-3-17-16(12-14)21(27-26-17)15-4-6-24-19(13-15)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H,26,27).
What are the key properties of 4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
4-[4-[5-(2-fluoro-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-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 90400745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).