3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide

C28H32N4O — CID 23603939

IUPAC3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)cc1
InChIInChI=1S/C28H32N4O/c1-17-7-10-23(11-8-17)16-29-26(33)14-13-25-20(4)27-22(6)31-32(28(27)30-21(25)5)24-12-9-18(2)19(3)15-24/h7-12,15H,13-14,16H2,1-6H3,(H,29,33)
InChIKeyIUWMIQVBYJAMMD-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.52
Rot. Bonds6

About 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 23603939) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID23603939
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)cc1
InChIInChI=1S/C28H32N4O/c1-17-7-10-23(11-8-17)16-29-26(33)14-13-25-20(4)27-22(6)31-32(28(27)30-21(25)5)24-12-9-18(2)19(3)15-24/h7-12,15H,13-14,16H2,1-6H3,(H,29,33)
InChIKeyIUWMIQVBYJAMMD-UHFFFAOYSA-N
XLogP5.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-methylphenyl)propanamide
CID 23603974
N-(3-methylbutyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603505
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 23603953
1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 20855322
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 20863735
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-ethoxyphenyl)propanamide
CID 23603941
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 20863731
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
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 50796184
methyl 3-methyl-2-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoylamino]butanoate
CID 23603527
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propan-1-one
CID 23603944

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide (CID 23603939) is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)cc1.
What is the InChIKey of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is IUWMIQVBYJAMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c1-17-7-10-23(11-8-17)16-29-26(33)14-13-25-20(4)27-22(6)31-32(28(27)30-21(25)5)24-12-9-18(2)19(3)15-24/h7-12,15H,13-14,16H2,1-6H3,(H,29,33).
What are the key properties of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide?
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 440.59 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 23603939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).