6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide

C17H22N4O2 — CID 67273565

About 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide

6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide (PubChem CID 67273565) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
• PubChem CID: 67273565
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
• SMILES: COc1ccc2c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)n[nH]c2c1
• InChI: InChI=1S/C17H22N4O2/c1-21-11-3-4-12(21)8-10(7-11)18-17(22)16-14-6-5-13(23-2)9-15(14)19-20-16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,20)/t10?,11-,12+
• InChIKey: DHWNCZNVFGDZFQ-YOGCLGLASA-N
• XLogP: 1.93
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide?

The IUPAC name of 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide (CID 67273565) is 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide?

The canonical SMILES for 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide is COc1ccc2c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)n[nH]c2c1.

What is the InChIKey of 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide?

The InChIKey is DHWNCZNVFGDZFQ-YOGCLGLASA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21-11-3-4-12(21)8-10(7-11)18-17(22)16-14-6-5-13(23-2)9-15(14)19-20-16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,20)/t10?,11-,12+.

What are the key properties of 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide?

6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67273565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).