methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C15H20N4O5 — CID 125123429

IUPACmethyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C[C@H](O)CN2CCOCC2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C15H20N4O5/c1-23-15(22)12-9-19(8-11-13(12)16-17-14(11)21)7-10(20)6-18-2-4-24-5-3-18/h8-10,20H,2-7H2,1H3,(H,17,21)/t10-/m1/s1
InChIKeyBFBCPYCKQNGODT-SNVBAGLBSA-N
MW336.35 g/mol
LogP-0.84
Rot. Bonds5

About methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 125123429) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID125123429
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Namemethyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C[C@H](O)CN2CCOCC2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C15H20N4O5/c1-23-15(22)12-9-19(8-11-13(12)16-17-14(11)21)7-10(20)6-18-2-4-24-5-3-18/h8-10,20H,2-7H2,1H3,(H,17,21)/t10-/m1/s1
InChIKeyBFBCPYCKQNGODT-SNVBAGLBSA-N
XLogP-0.84
TPSA109.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240785
methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878924
methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239609
methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240186
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125124134
methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240464
methyl 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240322
methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878415
methyl 5-[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125123786
methyl 5-[(3R)-3-(furan-2-yl)-4-phenylbutyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124880049
methyl 5-(4-hydroxybutanoylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432517

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 125123429) is methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C[C@H](O)CN2CCOCC2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is BFBCPYCKQNGODT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-23-15(22)12-9-19(8-11-13(12)16-17-14(11)21)7-10(20)6-18-2-4-24-5-3-18/h8-10,20H,2-7H2,1H3,(H,17,21)/t10-/m1/s1.
What are the key properties of methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 336.35 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 125123429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).