5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

C22H25N7O — CID 138692753

IUPAC5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2ccccn2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C22H25N7O/c1-5-30-22-17(9-11-25-27-22)18-12-19(24-13-16-8-6-7-10-23-16)21-20(26-18)15(4)28-29(21)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,26)
InChIKeyYORZDHGTKSYMLN-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.18
Rot. Bonds7

About 5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692753) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692753
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2ccccn2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C22H25N7O/c1-5-30-22-17(9-11-25-27-22)18-12-19(24-13-16-8-6-7-10-23-16)21-20(26-18)15(4)28-29(21)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,26)
InChIKeyYORZDHGTKSYMLN-UHFFFAOYSA-N
XLogP4.18
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155768026
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692678
5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 138692759
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692757
N-(1-aminoethylidene)-2-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]amino]ethanimidamide
CID 138746762
5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 166789977
5-(3-ethoxy-4-pyridinyl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 138692780
1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138522157
5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155339165
5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 138692703
N-[[2-(difluoromethyl)tetrazol-5-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 146593933
2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine
CID 135147648

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (CID 138692753) is 5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is CCOc1nnccc1-c1cc(NCc2ccccn2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is YORZDHGTKSYMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-5-30-22-17(9-11-25-27-22)18-12-19(24-13-16-8-6-7-10-23-16)21-20(26-18)15(4)28-29(21)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,26).
What are the key properties of 5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 403.49 g/mol, XLogP of 4.18, 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)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).