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

C19H22N4O2 — CID 46395179

IUPAC2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1C
InChIInChI=1S/C19H22N4O2/c1-12-5-6-15(9-13(12)2)10-20-17(24)11-23-8-7-16-14(3)21-22(4)18(16)19(23)25/h5-9H,10-11H2,1-4H3,(H,20,24)
InChIKeyQPIYTMQZMAOIKI-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.98
Rot. Bonds4

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

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide (PubChem CID 46395179) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide
PubChem CID46395179
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1C
InChIInChI=1S/C19H22N4O2/c1-12-5-6-15(9-13(12)2)10-20-17(24)11-23-8-7-16-14(3)21-22(4)18(16)19(23)25/h5-9H,10-11H2,1-4H3,(H,20,24)
InChIKeyQPIYTMQZMAOIKI-UHFFFAOYSA-N
XLogP1.98
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 46395148
N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164211
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide
CID 46395161
N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
CID 46395134
N-[(4-butoxyphenyl)methyl]-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395124
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
N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890117
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(furan-2-ylmethyl)acetamide
CID 46395088
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
CID 92898875
N-butan-2-yl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395084
3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide
CID 53159177

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide (CID 46395179) is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1C.
What is the InChIKey of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide?
The InChIKey is QPIYTMQZMAOIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-5-6-15(9-13(12)2)10-20-17(24)11-23-8-7-16-14(3)21-22(4)18(16)19(23)25/h5-9H,10-11H2,1-4H3,(H,20,24).
What are the key properties of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide?
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-[(3,4-dimethylphenyl)methyl]acetamide is sourced from PubChem (CID 46395179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).