methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

C19H21N3O5 — CID 66495916

About methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66495916) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 66495916
• Molecular Formula: C19H21N3O5
• Molecular Weight: 371.39 g/mol
• Exact Mass: 371.15
• IUPAC Name: methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(C(C)(CO)CO)cc2c(=O)n(-c3cccc(C)c3)nc1-2
• InChI: InChI=1S/C19H21N3O5/c1-12-5-4-6-13(7-12)22-17(25)14-8-21(19(2,10-23)11-24)9-15(16(14)20-22)18(26)27-3/h4-9,23-24H,10-11H2,1-3H3
• InChIKey: NJQWGNQHIBCMCV-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 106.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.39
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The IUPAC name of methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66495916) is methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

What is the SMILES notation for methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The canonical SMILES for methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C(C)(CO)CO)cc2c(=O)n(-c3cccc(C)c3)nc1-2.

What is the InChIKey of methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The InChIKey is NJQWGNQHIBCMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12-5-4-6-13(7-12)22-17(25)14-8-21(19(2,10-23)11-24)9-15(16(14)20-22)18(26)27-3/h4-9,23-24H,10-11H2,1-3H3.

What are the key properties of methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66495916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).