5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine

C22H25FN6O2 — CID 166789957

IUPAC5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NC(C)(C)Cc2cc(CF)on2)c2n[nH]c(C)c2n1
InChIInChI=1S/C22H25FN6O2/c1-5-30-21-16(7-6-8-24-21)17-10-18(20-19(25-17)13(2)27-28-20)26-22(3,4)11-14-9-15(12-23)31-29-14/h6-10H,5,11-12H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyGYZUPUUDWXPAJB-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.62
Rot. Bonds8

About 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine

5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 166789957) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine
PubChem CID166789957
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NC(C)(C)Cc2cc(CF)on2)c2n[nH]c(C)c2n1
InChIInChI=1S/C22H25FN6O2/c1-5-30-21-16(7-6-8-24-21)17-10-18(20-19(25-17)13(2)27-28-20)26-22(3,4)11-14-9-15(12-23)31-29-14/h6-10H,5,11-12H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyGYZUPUUDWXPAJB-UHFFFAOYSA-N
XLogP4.62
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine (CID 166789957) is 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NC(C)(C)Cc2cc(CF)on2)c2n[nH]c(C)c2n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is GYZUPUUDWXPAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-5-30-21-16(7-6-8-24-21)17-10-18(20-19(25-17)13(2)27-28-20)26-22(3,4)11-14-9-15(12-23)31-29-14/h6-10H,5,11-12H2,1-4H3,(H,25,26)(H,27,28).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 424.48 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 166789957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).