[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone

C16H20N4O2 — CID 97468451

About [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone

[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone (PubChem CID 97468451) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone.

Molecular Properties

• Compound Name: [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone
• PubChem CID: 97468451
• Molecular Formula: C16H20N4O2
• Molecular Weight: 300.36 g/mol
• Exact Mass: 300.16
• IUPAC Name: [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone
• SMILES: CCn1ncc2c1[C@@H](COC)CN(C(=O)c1ccccn1)C2
• InChI: InChI=1S/C16H20N4O2/c1-3-20-15-12(8-18-20)9-19(10-13(15)11-22-2)16(21)14-6-4-5-7-17-14/h4-8,13H,3,9-11H2,1-2H3/t13-/m1/s1
• InChIKey: LQZWAIKNJHTVBV-CYBMUJFWSA-N
• XLogP: 1.68
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.36
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone?

The IUPAC name of [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone (CID 97468451) is [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone.

What is the SMILES notation for [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone?

The canonical SMILES for [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone is CCn1ncc2c1[C@@H](COC)CN(C(=O)c1ccccn1)C2.

What is the InChIKey of [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone?

The InChIKey is LQZWAIKNJHTVBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-20-15-12(8-18-20)9-19(10-13(15)11-22-2)16(21)14-6-4-5-7-17-14/h4-8,13H,3,9-11H2,1-2H3/t13-/m1/s1.

What are the key properties of [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone?

[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone has a molecular weight of 300.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97468451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).