4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

C18H20FN5O — CID 163301882

IUPAC4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2cc(OCC3C4CNCC3C4)c3c(F)cnn3c2)cn1
InChIInChI=1S/C18H20FN5O/c1-23-8-14(6-21-23)13-3-17(18-16(19)7-22-24(18)9-13)25-10-15-11-2-12(15)5-20-4-11/h3,6-9,11-12,15,20H,2,4-5,10H2,1H3
InChIKeyOAJKFEIISXGLEA-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.11
Rot. Bonds4

About 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 163301882) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID163301882
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2cc(OCC3C4CNCC3C4)c3c(F)cnn3c2)cn1
InChIInChI=1S/C18H20FN5O/c1-23-8-14(6-21-23)13-3-17(18-16(19)7-22-24(18)9-13)25-10-15-11-2-12(15)5-20-4-11/h3,6-9,11-12,15,20H,2,4-5,10H2,1H3
InChIKeyOAJKFEIISXGLEA-UHFFFAOYSA-N
XLogP2.11
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-azabicyclo[3.1.0]hexane;N-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-amine
CID 163302197
3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163301372
(1S,5R)-6-[[(E)-1-(4-fluoro-1-propan-2-ylpyrazol-5-yl)prop-1-enoxy]methyl]-3-azabicyclo[3.1.1]heptane
CID 167070862
3-[1-(ethylamino)ethenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol
CID 168837809
3-iodo-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 159218471
4-[6-[6-[(3-fluoro-4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 135165771
ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
CID 171848450
3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one
CID 58404732
4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 175708993
6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 154950959
6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150240
4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine
CID 58404854

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 163301882) is 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is Cn1cc(-c2cc(OCC3C4CNCC3C4)c3c(F)cnn3c2)cn1.
What is the InChIKey of 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is OAJKFEIISXGLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-23-8-14(6-21-23)13-3-17(18-16(19)7-22-24(18)9-13)25-10-15-11-2-12(15)5-20-4-11/h3,6-9,11-12,15,20H,2,4-5,10H2,1H3.
What are the key properties of 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 341.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 163301882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).