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

C18H20N4O3 — CID 46395148

IUPAC2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-12-15-8-9-22(18(24)17(15)21(2)20-12)11-16(23)19-10-13-4-6-14(25-3)7-5-13/h4-9H,10-11H2,1-3H3,(H,19,23)
InChIKeyPBHSXNXFNDLYHB-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.37
Rot. Bonds5

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

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 46395148) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID46395148
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-12-15-8-9-22(18(24)17(15)21(2)20-12)11-16(23)19-10-13-4-6-14(25-3)7-5-13/h4-9H,10-11H2,1-3H3,(H,19,23)
InChIKeyPBHSXNXFNDLYHB-UHFFFAOYSA-N
XLogP1.37
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 46395179
N-[(4-butoxyphenyl)methyl]-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395124
N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906439
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
CID 46395134
2-(7-methoxyindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39348357
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(2-methoxyethyl)acetamide
CID 46395102
N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164200
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 6494603
N-[(4-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 45030397
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 100734852
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 46395148) is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1.
What is the InChIKey of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PBHSXNXFNDLYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-15-8-9-22(18(24)17(15)21(2)20-12)11-16(23)19-10-13-4-6-14(25-3)7-5-13/h4-9H,10-11H2,1-3H3,(H,19,23).
What are the key properties of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46395148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).