5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine

C20H23FN4O — CID 151906079

IUPAC5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
SMILESCC(C)n1ncc2nc(Cc3ccc(F)cc3)cc(N[C@@H]3CCOC3)c21
InChIInChI=1S/C20H23FN4O/c1-13(2)25-20-18(23-16-7-8-26-12-16)10-17(24-19(20)11-22-25)9-14-3-5-15(21)6-4-14/h3-6,10-11,13,16H,7-9,12H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeySTTOMOGDSKUZLD-MRXNPFEDSA-N
MW354.43 g/mol
LogP3.94
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine

5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine (PubChem CID 151906079) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
PubChem CID151906079
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
SMILESCC(C)n1ncc2nc(Cc3ccc(F)cc3)cc(N[C@@H]3CCOC3)c21
InChIInChI=1S/C20H23FN4O/c1-13(2)25-20-18(23-16-7-8-26-12-16)10-17(24-19(20)11-22-25)9-14-3-5-15(21)6-4-14/h3-6,10-11,13,16H,7-9,12H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeySTTOMOGDSKUZLD-MRXNPFEDSA-N
XLogP3.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(Cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10297402
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670694
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670695
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
CID 67469574
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 67470405
US10377753, Example 178
CID 124176027
US10435405, Example 180
CID 134327764
US10435405, Example 122
CID 134328239
US9725449, Example 302
CID 122694924
(R)-7-(5-(1-(2-fluoro-3-hydroxy-3-methylbutyl)-1H-1,2,3-triazol-4-yl)-4-(oxetan-3-ylamino)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146345358
7-(4-(((R)-1-cyanoethyl)amino)-5-(1-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146345415
3-[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]morpholine
CID 53357600

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine (CID 151906079) is 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine is CC(C)n1ncc2nc(Cc3ccc(F)cc3)cc(N[C@@H]3CCOC3)c21.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is STTOMOGDSKUZLD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-13(2)25-20-18(23-16-7-8-26-12-16)10-17(24-19(20)11-22-25)9-14-3-5-15(21)6-4-14/h3-6,10-11,13,16H,7-9,12H2,1-2H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 354.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 151906079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).