3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine

C19H23FN6O2 — CID 169267317

IUPAC3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2nnn(C3CCN(C4COC4)CC3)c2C)cn2ncc(F)c12
InChIInChI=1S/C19H23FN6O2/c1-12-18(13-7-17(27-2)19-16(20)8-21-25(19)9-13)22-23-26(12)14-3-5-24(6-4-14)15-10-28-11-15/h7-9,14-15H,3-6,10-11H2,1-2H3
InChIKeyZFNVPPZSCBCQNU-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.08
Rot. Bonds4

About 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine

3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine (PubChem CID 169267317) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
PubChem CID169267317
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2nnn(C3CCN(C4COC4)CC3)c2C)cn2ncc(F)c12
InChIInChI=1S/C19H23FN6O2/c1-12-18(13-7-17(27-2)19-16(20)8-21-25(19)9-13)22-23-26(12)14-3-5-24(6-4-14)15-10-28-11-15/h7-9,14-15H,3-6,10-11H2,1-2H3
InChIKeyZFNVPPZSCBCQNU-UHFFFAOYSA-N
XLogP2.08
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CS-526
CID 9833312
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647442
US10034861, Example 165
CID 132273284
(2S,6S)-10-(2-fluorophenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86295354
(2R,6R)-10-(2-fluorophenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86295356
US9725449, Example 301
CID 122694923
US10034861, Example 199
CID 132273487
(S)-1-(3-fluorophenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481736
3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
CID 90644328
5-[4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]triazol-1-yl]pyrazolo[1,5-a]pyridine
CID 122189387
4-[4-[6-(2-Fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine
CID 162676205
(2R,6R)-10-(3-fluorophenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 168276410

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine (CID 169267317) is 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine is COc1cc(-c2nnn(C3CCN(C4COC4)CC3)c2C)cn2ncc(F)c12.
What is the InChIKey of 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is ZFNVPPZSCBCQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-12-18(13-7-17(27-2)19-16(20)8-21-25(19)9-13)22-23-26(12)14-3-5-24(6-4-14)15-10-28-11-15/h7-9,14-15H,3-6,10-11H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine?
3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 386.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 169267317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).