6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C29H24FN5O6 — CID 25173148

About 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 25173148) has the molecular formula C29H24FN5O6 and a molecular weight of 557.54 g/mol. Its IUPAC name is 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• PubChem CID: 25173148
• Molecular Formula: C29H24FN5O6
• Molecular Weight: 557.54 g/mol
• Exact Mass: 557.17
• IUPAC Name: 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
• SMILES: CC(C)(C)OC(=O)n1nc(N)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)ccc21
• InChI: InChI=1S/C29H24FN5O6/c1-29(2,3)41-28(39)35-19-7-6-14(11-17(19)25(31)33-35)13-34-20-12-18(30)15-8-10-40-24(15)22(20)21(23(34)27(37)38)16-5-4-9-32-26(16)36/h4-12H,13H2,1-3H3,(H2,31,33)(H,32,36)(H,37,38)
• InChIKey: UBPJRFUDWVZKAK-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 158.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.54
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The IUPAC name of 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 25173148) is 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

What is the SMILES notation for 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The canonical SMILES for 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is CC(C)(C)OC(=O)n1nc(N)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)ccc21.

What is the InChIKey of 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

The InChIKey is UBPJRFUDWVZKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O6/c1-29(2,3)41-28(39)35-19-7-6-14(11-17(19)25(31)33-35)13-34-20-12-18(30)15-8-10-40-24(15)22(20)21(23(34)27(37)38)16-5-4-9-32-26(16)36/h4-12H,13H2,1-3H3,(H2,31,33)(H,32,36)(H,37,38).

What are the key properties of 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?

6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 557.54 g/mol, XLogP of 5.34, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 25173148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).