1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine

C22H27N7O2 — CID 140830723

IUPAC1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2noc(C)n2)c2c(n1)c(C)nn2[C@@H](C)CC
InChIInChI=1S/C22H27N7O2/c1-6-13(3)29-21-18(24-12-19-25-15(5)31-28-19)11-17(26-20(21)14(4)27-29)16-9-8-10-23-22(16)30-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,24,26)/t13-/m0/s1
InChIKeyXOIXJVILDWTHEL-ZDUSSCGKSA-N
MW421.51 g/mol
LogP4.47
Rot. Bonds8

About 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine

1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 140830723) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
PubChem CID140830723
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2noc(C)n2)c2c(n1)c(C)nn2[C@@H](C)CC
InChIInChI=1S/C22H27N7O2/c1-6-13(3)29-21-18(24-12-19-25-15(5)31-28-19)11-17(26-20(21)14(4)27-29)16-9-8-10-23-22(16)30-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,24,26)/t13-/m0/s1
InChIKeyXOIXJVILDWTHEL-ZDUSSCGKSA-N
XLogP4.47
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

2-(1,4-dimethyl-3-pyrazin-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 69915187
N-[(3R)-1-[3-(6-methoxy-3-pyridinyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 135217254
US10034861, Example 199
CID 132273487
US10034861, Example 1
CID 132273299
3-[(1S,3R)-3-[5-(6-methoxy-2-pyridinyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 127033002
3-[(1R,3R)-3-[5-(6-methoxy-2-pyridinyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 127034429
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxyacetamide
CID 67209756
N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67259421
2-[1,4-dimethyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 69915126
2-[3-(4-methoxypyrimidin-2-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 69915177
2-[1,4-dimethyl-3-(5-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 69915211
3-methyl-6-(1-methyl-3-pyridin-2-yloxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 75201817

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine (CID 140830723) is 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2noc(C)n2)c2c(n1)c(C)nn2[C@@H](C)CC.
What is the InChIKey of 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is XOIXJVILDWTHEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-6-13(3)29-21-18(24-12-19-25-15(5)31-28-19)11-17(26-20(21)14(4)27-29)16-9-8-10-23-22(16)30-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,24,26)/t13-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 421.51 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 140830723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).