5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C22H24FN7O — CID 138692715

IUPAC5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2cccc(F)n2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C22H24FN7O/c1-5-31-22-16(9-10-25-28-22)17-11-18(24-12-15-7-6-8-19(23)26-15)21-20(27-17)14(4)29-30(21)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,24,27)
InChIKeyLZZJYOXZQKENCS-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.32
Rot. Bonds7

About 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692715) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692715
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2cccc(F)n2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C22H24FN7O/c1-5-31-22-16(9-10-25-28-22)17-11-18(24-12-15-7-6-8-19(23)26-15)21-20(27-17)14(4)29-30(21)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,24,27)
InChIKeyLZZJYOXZQKENCS-UHFFFAOYSA-N
XLogP4.32
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692715) is 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1nnccc1-c1cc(NCc2cccc(F)n2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is LZZJYOXZQKENCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-5-31-22-16(9-10-25-28-22)17-11-18(24-12-15-7-6-8-19(23)26-15)21-20(27-17)14(4)29-30(21)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,24,27).
What are the key properties of 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 421.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypyridazin-4-yl)-N-[(6-fluoro-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).