3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline

C22H20FN5O2 — CID 118197704

IUPAC3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline
SMILESNc1ccc(Oc2cc(-c3ccc(N4CCOCC4)nc3)cn3nccc23)c(F)c1
InChIInChI=1S/C22H20FN5O2/c23-18-12-17(24)2-3-20(18)30-21-11-16(14-28-19(21)5-6-26-28)15-1-4-22(25-13-15)27-7-9-29-10-8-27/h1-6,11-14H,7-10,24H2
InChIKeyMRMRHULHWWLSHM-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.75
Rot. Bonds4

About 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline

3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline (PubChem CID 118197704) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline
PubChem CID118197704
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline
SMILESNc1ccc(Oc2cc(-c3ccc(N4CCOCC4)nc3)cn3nccc23)c(F)c1
InChIInChI=1S/C22H20FN5O2/c23-18-12-17(24)2-3-20(18)30-21-11-16(14-28-19(21)5-6-26-28)15-1-4-22(25-13-15)27-7-9-29-10-8-27/h1-6,11-14H,7-10,24H2
InChIKeyMRMRHULHWWLSHM-UHFFFAOYSA-N
XLogP3.75
TPSA77.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 118958833
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
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3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
Pyrazolo[1,5-b]pyridazine deriv. 67
CID 6539409
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-ethylpyridin-2-amine
CID 23646992
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-benzylpyridin-2-amine
CID 23646994
Methyl substituted pyrazole, 28
CID 23648676

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline?
The IUPAC name of 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline (CID 118197704) is 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline.
What is the SMILES notation for 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline?
The canonical SMILES for 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline is Nc1ccc(Oc2cc(-c3ccc(N4CCOCC4)nc3)cn3nccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline?
The InChIKey is MRMRHULHWWLSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-18-12-17(24)2-3-20(18)30-21-11-16(14-28-19(21)5-6-26-28)15-1-4-22(25-13-15)27-7-9-29-10-8-27/h1-6,11-14H,7-10,24H2.
What are the key properties of 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline?
3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline has a molecular weight of 405.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline is sourced from PubChem (CID 118197704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).