4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C26H33FN4O2 — CID 146643730

About 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146643730) has the molecular formula C26H33FN4O2 and a molecular weight of 452.57 g/mol. Its IUPAC name is 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 146643730
• Molecular Formula: C26H33FN4O2
• Molecular Weight: 452.57 g/mol
• Exact Mass: 452.26
• IUPAC Name: 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: COCCN1CCC2(CC1)CN(c1cccc(NC(=O)C3Cc4c(F)ccc(C)c4N3)c1)C2
• InChI: InChI=1S/C26H33FN4O2/c1-18-6-7-22(27)21-15-23(29-24(18)21)25(32)28-19-4-3-5-20(14-19)31-16-26(17-31)8-10-30(11-9-26)12-13-33-2/h3-7,14,23,29H,8-13,15-17H2,1-2H3,(H,28,32)
• InChIKey: HQIRFJWKHVDRKE-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 56.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.57
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146643730) is 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is COCCN1CCC2(CC1)CN(c1cccc(NC(=O)C3Cc4c(F)ccc(C)c4N3)c1)C2.

What is the InChIKey of 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is HQIRFJWKHVDRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O2/c1-18-6-7-22(27)21-15-23(29-24(18)21)25(32)28-19-4-3-5-20(14-19)31-16-26(17-31)8-10-30(11-9-26)12-13-33-2/h3-7,14,23,29H,8-13,15-17H2,1-2H3,(H,28,32).

What are the key properties of 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 452.57 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146643730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).