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

C28H32N4O4 — CID 20961312

IUPACN-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCCn1c(=O)c(CCC(=O)Nc2ccc(OC)cc2OC)c(C)c2c(C)nn(-c3ccccc3C)c21
InChIInChI=1S/C28H32N4O4/c1-7-31-27-26(19(4)30-32(27)23-11-9-8-10-17(23)2)18(3)21(28(31)34)13-15-25(33)29-22-14-12-20(35-5)16-24(22)36-6/h8-12,14,16H,7,13,15H2,1-6H3,(H,29,33)
InChIKeySZRYYQUMAMQBFP-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.72
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 20961312) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID20961312
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCCn1c(=O)c(CCC(=O)Nc2ccc(OC)cc2OC)c(C)c2c(C)nn(-c3ccccc3C)c21
InChIInChI=1S/C28H32N4O4/c1-7-31-27-26(19(4)30-32(27)23-11-9-8-10-17(23)2)18(3)21(28(31)34)13-15-25(33)29-22-14-12-20(35-5)16-24(22)36-6/h8-12,14,16H,7,13,15H2,1-6H3,(H,29,33)
InChIKeySZRYYQUMAMQBFP-UHFFFAOYSA-N
XLogP4.72
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961379
3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 20961306
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
N-(3,4-difluorophenyl)-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961278
N-(1,3-benzodioxol-5-yl)-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961270
N-benzyl-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961356
N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796043
N-(3,4,5-trimethoxyphenyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961514
N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745726
3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 20961231
2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3964608
N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110423070

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide (CID 20961312) is N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide is CCn1c(=O)c(CCC(=O)Nc2ccc(OC)cc2OC)c(C)c2c(C)nn(-c3ccccc3C)c21.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is SZRYYQUMAMQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-7-31-27-26(19(4)30-32(27)23-11-9-8-10-17(23)2)18(3)21(28(31)34)13-15-25(33)29-22-14-12-20(35-5)16-24(22)36-6/h8-12,14,16H,7,13,15H2,1-6H3,(H,29,33).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 488.59 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 20961312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).