methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C15H15N3O2 — CID 2727936

IUPACmethyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)Nc2[nH]ncc2C1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-9-12(15(19)20-2)13(10-6-4-3-5-7-10)11-8-16-18-14(11)17-9/h3-8,13H,1-2H3,(H2,16,17,18)
InChIKeyQBSQNUQNQCFCCQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.41
Rot. Bonds2

About methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 2727936) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID2727936
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namemethyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)Nc2[nH]ncc2C1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-9-12(15(19)20-2)13(10-6-4-3-5-7-10)11-8-16-18-14(11)17-9/h3-8,13H,1-2H3,(H2,16,17,18)
InChIKeyQBSQNUQNQCFCCQ-UHFFFAOYSA-N
XLogP2.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 2727936) is methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is COC(=O)C1=C(C)Nc2[nH]ncc2C1c1ccccc1.
What is the InChIKey of methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is QBSQNUQNQCFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-12(15(19)20-2)13(10-6-4-3-5-7-10)11-8-16-18-14(11)17-9/h3-8,13H,1-2H3,(H2,16,17,18).
What are the key properties of methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 2727936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).