methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C16H16ClN3O3 — CID 135584067

IUPACmethyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCOCC1=C(C(=O)OC)C(c2ccccc2Cl)c2cn[nH]c2N1
InChIInChI=1S/C16H16ClN3O3/c1-22-8-12-14(16(21)23-2)13(9-5-3-4-6-11(9)17)10-7-18-20-15(10)19-12/h3-7,13H,8H2,1-2H3,(H2,18,19,20)
InChIKeyMAZDSFOREYCAKG-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.69
Rot. Bonds4

About methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135584067) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135584067
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Namemethyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCOCC1=C(C(=O)OC)C(c2ccccc2Cl)c2cn[nH]c2N1
InChIInChI=1S/C16H16ClN3O3/c1-22-8-12-14(16(21)23-2)13(9-5-3-4-6-11(9)17)10-7-18-20-15(10)19-12/h3-7,13H,8H2,1-2H3,(H2,18,19,20)
InChIKeyMAZDSFOREYCAKG-UHFFFAOYSA-N
XLogP2.69
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135584067) is methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is COCC1=C(C(=O)OC)C(c2ccccc2Cl)c2cn[nH]c2N1.
What is the InChIKey of methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is MAZDSFOREYCAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-22-8-12-14(16(21)23-2)13(9-5-3-4-6-11(9)17)10-7-18-20-15(10)19-12/h3-7,13H,8H2,1-2H3,(H2,18,19,20).
What are the key properties of methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 333.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135584067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).