N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide

C20H24N4O4 — CID 46395134

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
SMILESCOc1ccc(CNC(=O)C(C)n2ccc3c(C)nn(C)c3c2=O)cc1OC
InChIInChI=1S/C20H24N4O4/c1-12-15-8-9-24(20(26)18(15)23(3)22-12)13(2)19(25)21-11-14-6-7-16(27-4)17(10-14)28-5/h6-10,13H,11H2,1-5H3,(H,21,25)
InChIKeyNZAUMTDFDZIVRK-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.94
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide (PubChem CID 46395134) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
PubChem CID46395134
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
SMILESCOc1ccc(CNC(=O)C(C)n2ccc3c(C)nn(C)c3c2=O)cc1OC
InChIInChI=1S/C20H24N4O4/c1-12-15-8-9-24(20(26)18(15)23(3)22-12)13(2)19(25)21-11-14-6-7-16(27-4)17(10-14)28-5/h6-10,13H,11H2,1-5H3,(H,21,25)
InChIKeyNZAUMTDFDZIVRK-UHFFFAOYSA-N
XLogP1.94
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
CID 92898875
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 46395179
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylpropanamide
CID 94025525
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 11944398
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559456
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735148
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 124844088
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide
CID 51305031
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 80542148
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide (CID 46395134) is N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide is COc1ccc(CNC(=O)C(C)n2ccc3c(C)nn(C)c3c2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide?
The InChIKey is NZAUMTDFDZIVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12-15-8-9-24(20(26)18(15)23(3)22-12)13(2)19(25)21-11-14-6-7-16(27-4)17(10-14)28-5/h6-10,13H,11H2,1-5H3,(H,21,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide has a molecular weight of 384.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide is sourced from PubChem (CID 46395134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).