methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C18H20N6O6 — CID 121239223

IUPACmethyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C(C)C(=O)NCc2cc(=O)n(C)c(=O)n2C)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H20N6O6/c1-9(15(26)19-6-10-5-13(25)23(3)18(29)22(10)2)24-7-11-14(20-21-16(11)27)12(8-24)17(28)30-4/h5,7-9H,6H2,1-4H3,(H,19,26)(H,21,27)
InChIKeyWVUSONUBCCMFKB-UHFFFAOYSA-N
MW416.39 g/mol
LogP-1.26
Rot. Bonds5

About methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121239223) has the molecular formula C18H20N6O6 and a molecular weight of 416.39 g/mol. Its IUPAC name is methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121239223
Molecular FormulaC18H20N6O6
Molecular Weight416.39 g/mol
Exact Mass416.14
IUPAC Namemethyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C(C)C(=O)NCc2cc(=O)n(C)c(=O)n2C)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H20N6O6/c1-9(15(26)19-6-10-5-13(25)23(3)18(29)22(10)2)24-7-11-14(20-21-16(11)27)12(8-24)17(28)30-4/h5,7-9H,6H2,1-4H3,(H,19,26)(H,21,27)
InChIKeyWVUSONUBCCMFKB-UHFFFAOYSA-N
XLogP-1.26
TPSA150.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121239223) is methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C(C)C(=O)NCc2cc(=O)n(C)c(=O)n2C)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is WVUSONUBCCMFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O6/c1-9(15(26)19-6-10-5-13(25)23(3)18(29)22(10)2)24-7-11-14(20-21-16(11)27)12(8-24)17(28)30-4/h5,7-9H,6H2,1-4H3,(H,19,26)(H,21,27).
What are the key properties of methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 416.39 g/mol, XLogP of -1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121239223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).