methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C16H20N4O5 — CID 125433447

IUPACmethyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)[C@@H]2CCOC(C)(C)C2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H20N4O5/c1-16(2)6-9(4-5-25-16)13(21)19-20-7-10-12(17-18-14(10)22)11(8-20)15(23)24-3/h7-9H,4-6H2,1-3H3,(H,18,22)(H,19,21)/t9-/m1/s1
InChIKeyUMTHKANKWTVURY-SECBINFHSA-N
MW348.36 g/mol
LogP0.74
Rot. Bonds3

About methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 125433447) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID125433447
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Namemethyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)[C@@H]2CCOC(C)(C)C2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H20N4O5/c1-16(2)6-9(4-5-25-16)13(21)19-20-7-10-12(17-18-14(10)22)11(8-20)15(23)24-3/h7-9H,4-6H2,1-3H3,(H,18,22)(H,19,21)/t9-/m1/s1
InChIKeyUMTHKANKWTVURY-SECBINFHSA-N
XLogP0.74
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 5-[(2,2-dimethyloxane-4-carbonyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 128963334
methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 128962868
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
methyl 5-(4-hydroxybutanoylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432517
methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431835
methyl 5-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431324
methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431196
methyl 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240322
methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878924
methyl 5-[4-(azepan-1-yl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204105
methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125123429

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 125433447) is methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(NC(=O)[C@@H]2CCOC(C)(C)C2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is UMTHKANKWTVURY-SECBINFHSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-16(2)6-9(4-5-25-16)13(21)19-20-7-10-12(17-18-14(10)22)11(8-20)15(23)24-3/h7-9H,4-6H2,1-3H3,(H,18,22)(H,19,21)/t9-/m1/s1.
What are the key properties of methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4R)-2,2-dimethyloxane-4-carbonyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 125433447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).