3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide

C22H23N5O2 — CID 86930170

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)Nc3cccc4ncccc34)c(C)c12
InChIInChI=1S/C22H23N5O2/c1-13-15(14(2)24-21-20(13)22(29-4)26-27(21)3)10-11-19(28)25-18-9-5-8-17-16(18)7-6-12-23-17/h5-9,12H,10-11H2,1-4H3,(H,25,28)
InChIKeyNTUCNSKIPAUOIT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.71
Rot. Bonds5

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide (PubChem CID 86930170) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide
PubChem CID86930170
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)Nc3cccc4ncccc34)c(C)c12
InChIInChI=1S/C22H23N5O2/c1-13-15(14(2)24-21-20(13)22(29-4)26-27(21)3)10-11-19(28)25-18-9-5-8-17-16(18)7-6-12-23-17/h5-9,12H,10-11H2,1-4H3,(H,25,28)
InChIKeyNTUCNSKIPAUOIT-UHFFFAOYSA-N
XLogP3.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(naphthalen-1-ylmethyl)propanamide
CID 78862004
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide
CID 55903875
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
CID 55920209
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
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
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55939785
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide (CID 86930170) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide is COc1nn(C)c2nc(C)c(CCC(=O)Nc3cccc4ncccc34)c(C)c12.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide?
The InChIKey is NTUCNSKIPAUOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-15(14(2)24-21-20(13)22(29-4)26-27(21)3)10-11-19(28)25-18-9-5-8-17-16(18)7-6-12-23-17/h5-9,12H,10-11H2,1-4H3,(H,25,28).
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide has a molecular weight of 389.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-quinolin-5-ylpropanamide is sourced from PubChem (CID 86930170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).