2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C18H17N5O3 — CID 16646021

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cc(C)nc(-n2[nH]c3cc(=O)n(Cc4ccco4)c(C)c3c2=O)n1
InChIInChI=1S/C18H17N5O3/c1-10-7-11(2)20-18(19-10)23-17(25)16-12(3)22(9-13-5-4-6-26-13)15(24)8-14(16)21-23/h4-8,21H,9H2,1-3H3
InChIKeyKSVURAVYKJLUIX-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.84
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 16646021) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID16646021
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cc(C)nc(-n2[nH]c3cc(=O)n(Cc4ccco4)c(C)c3c2=O)n1
InChIInChI=1S/C18H17N5O3/c1-10-7-11(2)20-18(19-10)23-17(25)16-12(3)22(9-13-5-4-6-26-13)15(24)8-14(16)21-23/h4-8,21H,9H2,1-3H3
InChIKeyKSVURAVYKJLUIX-UHFFFAOYSA-N
XLogP1.84
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494969
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 4112136
2-(1,3-benzothiazol-2-yl)-7-benzyl-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 25015327
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
2-(1,3-benzothiazol-2-yl)-1-benzyl-5-(furan-2-ylmethyl)-4-methyl-3-oxothiadiazolo[5,4-c]pyridin-6-one
CID 59199218
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 932496
10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
CID 10566649
2-[(4-tert-butylphenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 5100465
4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495017
3-(furan-2-ylmethyl)-6-methyl-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 95920987
3-(furan-2-ylmethyl)-5,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 3569111

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 16646021) is 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1cc(C)nc(-n2[nH]c3cc(=O)n(Cc4ccco4)c(C)c3c2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is KSVURAVYKJLUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10-7-11(2)20-18(19-10)23-17(25)16-12(3)22(9-13-5-4-6-26-13)15(24)8-14(16)21-23/h4-8,21H,9H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 351.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 16646021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).