3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide

C22H25N7O2 — CID 55795871

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(-n4cncn4)cc3)c(C)c12
InChIInChI=1S/C22H25N7O2/c1-14-18(15(2)26-21-20(14)22(31-4)27-28(21)3)9-10-19(30)24-11-16-5-7-17(8-6-16)29-13-23-12-25-29/h5-8,12-13H,9-11H2,1-4H3,(H,24,30)
InChIKeyGHMHJLICZYUVKH-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.42
Rot. Bonds7

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide (PubChem CID 55795871) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
PubChem CID55795871
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(-n4cncn4)cc3)c(C)c12
InChIInChI=1S/C22H25N7O2/c1-14-18(15(2)26-21-20(14)22(31-4)27-28(21)3)9-10-19(30)24-11-16-5-7-17(8-6-16)29-13-23-12-25-29/h5-8,12-13H,9-11H2,1-4H3,(H,24,30)
InChIKeyGHMHJLICZYUVKH-UHFFFAOYSA-N
XLogP2.42
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
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3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55615609
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CID 119641632
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide
CID 86930170
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55723342
methyl 2-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]thiophene-3-carboxylate
CID 55876951
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide (CID 55795871) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide is COc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(-n4cncn4)cc3)c(C)c12.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
The InChIKey is GHMHJLICZYUVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-18(15(2)26-21-20(14)22(31-4)27-28(21)3)9-10-19(30)24-11-16-5-7-17(8-6-16)29-13-23-12-25-29/h5-8,12-13H,9-11H2,1-4H3,(H,24,30).
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide has a molecular weight of 419.49 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 55795871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).