1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H20N4O2 — CID 124887187

About 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 124887187) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 124887187
• Molecular Formula: C19H20N4O2
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.16
• IUPAC Name: 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CCn1ncc2cc(C(=O)N[C@@H]3Cc4ccccc4[C@H]3O)c(C)nc21
• InChI: InChI=1S/C19H20N4O2/c1-3-23-18-13(10-20-23)8-15(11(2)21-18)19(25)22-16-9-12-6-4-5-7-14(12)17(16)24/h4-8,10,16-17,24H,3,9H2,1-2H3,(H,22,25)/t16-,17-/m1/s1
• InChIKey: RCJNLKRJBQSXFZ-IAGOWNOFSA-N
• XLogP: 2.15
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 124887187) is 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2cc(C(=O)N[C@@H]3Cc4ccccc4[C@H]3O)c(C)nc21.

What is the InChIKey of 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is RCJNLKRJBQSXFZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-23-18-13(10-20-23)8-15(11(2)21-18)19(25)22-16-9-12-6-4-5-7-14(12)17(16)24/h4-8,10,16-17,24H,3,9H2,1-2H3,(H,22,25)/t16-,17-/m1/s1.

What are the key properties of 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide?

1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 124887187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).