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

C21H26N8O — CID 138692688

IUPAC5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C21H26N8O/c1-6-30-21-16(7-8-23-26-21)17-9-18(22-10-15-11-24-28(5)12-15)20-19(25-17)14(4)27-29(20)13(2)3/h7-9,11-13H,6,10H2,1-5H3,(H,22,25)
InChIKeySNBCJPFRPGAYQC-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.52
Rot. Bonds7

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

5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692688) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692688
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C21H26N8O/c1-6-30-21-16(7-8-23-26-21)17-9-18(22-10-15-11-24-28(5)12-15)20-19(25-17)14(4)27-29(20)13(2)3/h7-9,11-13H,6,10H2,1-5H3,(H,22,25)
InChIKeySNBCJPFRPGAYQC-UHFFFAOYSA-N
XLogP3.52
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(1,2,5,6-Tetrahydro-4-pyridyl)-5-propoxypyrrolo(3,2-b)pyridine
CID 4029677
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24955343
4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine
CID 56943105
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
3-[(2S)-2-amino-3-phenylpropoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647436
5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-6-oxido-1H-pyrazolo[3,4-c]pyridin-6-ium
CID 23647439
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-ethenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647440
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647442

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692688) is 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is SNBCJPFRPGAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-6-30-21-16(7-8-23-26-21)17-9-18(22-10-15-11-24-28(5)12-15)20-19(25-17)14(4)27-29(20)13(2)3/h7-9,11-13H,6,10H2,1-5H3,(H,22,25).
What are the key properties of 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 406.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypyridazin-4-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).