N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide

C23H26N4O3 — CID 67846028

About N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide

N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide (PubChem CID 67846028) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
• PubChem CID: 67846028
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
• SMILES: COc1ccc(CN2[C@@H]3COC[C@H]2CC(NC(=O)c2n[nH]c4ccccc24)C3)cc1
• InChI: InChI=1S/C23H26N4O3/c1-29-19-8-6-15(7-9-19)12-27-17-10-16(11-18(27)14-30-13-17)24-23(28)22-20-4-2-3-5-21(20)25-26-22/h2-9,16-18H,10-14H2,1H3,(H,24,28)(H,25,26)/t16?,17-,18+
• InChIKey: PRBKRWQKZLJEGK-AYHJJNSGSA-N
• XLogP: 2.73
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide (CID 67846028) is N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide is COc1ccc(CN2[C@@H]3COC[C@H]2CC(NC(=O)c2n[nH]c4ccccc24)C3)cc1.

What is the InChIKey of N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?

The InChIKey is PRBKRWQKZLJEGK-AYHJJNSGSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-19-8-6-15(7-9-19)12-27-17-10-16(11-18(27)14-30-13-17)24-23(28)22-20-4-2-3-5-21(20)25-26-22/h2-9,16-18H,10-14H2,1H3,(H,24,28)(H,25,26)/t16?,17-,18+.

What are the key properties of N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide?

N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67846028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).