methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate

C25H32N4O3 — CID 23603527

IUPACmethyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate
SMILESCOC(=O)C(NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C)C(C)C
InChIInChI=1S/C25H32N4O3/c1-14(2)23(25(31)32-7)27-21(30)13-12-20-16(4)22-18(6)28-29(24(22)26-17(20)5)19-10-8-15(3)9-11-19/h8-11,14,23H,12-13H2,1-7H3,(H,27,30)
InChIKeyRLYJFWXQQUNVJH-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.90
Rot. Bonds7

About methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate

methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate (PubChem CID 23603527) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate
PubChem CID23603527
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Namemethyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate
SMILESCOC(=O)C(NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C)C(C)C
InChIInChI=1S/C25H32N4O3/c1-14(2)23(25(31)32-7)27-21(30)13-12-20-16(4)22-18(6)28-29(24(22)26-17(20)5)19-10-8-15(3)9-11-19/h8-11,14,23H,12-13H2,1-7H3,(H,27,30)
InChIKeyRLYJFWXQQUNVJH-UHFFFAOYSA-N
XLogP3.90
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate 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

N-(3-methylbutyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603505
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20863666
N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 46261829
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-methylphenyl)propanamide
CID 23603974
N-(3-fluoro-4-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603523
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 23603939
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 50796242
ethyl 1-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoyl]piperidine-4-carboxylate
CID 23603484
methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate
CID 136844122
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20863662
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
CID 50796208
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate?
The IUPAC name of methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate (CID 23603527) is methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate is COC(=O)C(NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate?
The InChIKey is RLYJFWXQQUNVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-14(2)23(25(31)32-7)27-21(30)13-12-20-16(4)22-18(6)28-29(24(22)26-17(20)5)19-10-8-15(3)9-11-19/h8-11,14,23H,12-13H2,1-7H3,(H,27,30).
What are the key properties of methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate?
methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate has a molecular weight of 436.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate is sourced from PubChem (CID 23603527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).