N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide

C17H20N6O3 — CID 66495130

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide
SMILESCc1cc(C)nc(-n2[nH]c3cc(=O)n(NC(=O)C(C)C)c(C)c3c2=O)n1
InChIInChI=1S/C17H20N6O3/c1-8(2)15(25)21-22-11(5)14-12(7-13(22)24)20-23(16(14)26)17-18-9(3)6-10(4)19-17/h6-8,20H,1-5H3,(H,21,25)
InChIKeyWCUISZZIWLAYRZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.92
Rot. Bonds3

About N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide (PubChem CID 66495130) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide
PubChem CID66495130
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide
SMILESCc1cc(C)nc(-n2[nH]c3cc(=O)n(NC(=O)C(C)C)c(C)c3c2=O)n1
InChIInChI=1S/C17H20N6O3/c1-8(2)15(25)21-22-11(5)14-12(7-13(22)24)20-23(16(14)26)17-18-9(3)6-10(4)19-17/h6-8,20H,1-5H3,(H,21,25)
InChIKeyWCUISZZIWLAYRZ-UHFFFAOYSA-N
XLogP0.92
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide (CID 66495130) is N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide is Cc1cc(C)nc(-n2[nH]c3cc(=O)n(NC(=O)C(C)C)c(C)c3c2=O)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide?
The InChIKey is WCUISZZIWLAYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-8(2)15(25)21-22-11(5)14-12(7-13(22)24)20-23(16(14)26)17-18-9(3)6-10(4)19-17/h6-8,20H,1-5H3,(H,21,25).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide has a molecular weight of 356.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide is sourced from PubChem (CID 66495130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).