[6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate

C38H32Cl2F4N6O7 — CID 142548462

About [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate

[6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate (PubChem CID 142548462) has the molecular formula C38H32Cl2F4N6O7 and a molecular weight of 831.61 g/mol. Its IUPAC name is [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

• Compound Name: [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate
• PubChem CID: 142548462
• Molecular Formula: C38H32Cl2F4N6O7
• Molecular Weight: 831.61 g/mol
• Exact Mass: 830.16
• IUPAC Name: [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate
• SMILES: COCC(=O)N1CC(COC(=O)c2nc(-c3ccc4ccn(C(=O)C(C)(C)C)c4c3F)c(F)c(N)c2Cl)c2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21
• InChI: InChI=1S/C38H32Cl2F4N6O7/c1-38(2,3)37(54)49-11-10-15-6-7-18(23(41)33(15)49)29-26(44)28(46)22(40)32(48-29)36(53)57-13-16-12-50(20(51)14-55-4)34-17(16)8-9-19(24(34)42)30-25(43)27(45)21(39)31(47-30)35(52)56-5/h6-11,16H,12-14H2,1-5H3,(H2,45,47)(H2,46,48)
• InChIKey: UMQITAUZPCLYMP-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 181.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	831.61
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate?

The IUPAC name of [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate (CID 142548462) is [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate.

What is the SMILES notation for [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate?

The canonical SMILES for [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate is COCC(=O)N1CC(COC(=O)c2nc(-c3ccc4ccn(C(=O)C(C)(C)C)c4c3F)c(F)c(N)c2Cl)c2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21.

What is the InChIKey of [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate?

The InChIKey is UMQITAUZPCLYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32Cl2F4N6O7/c1-38(2,3)37(54)49-11-10-15-6-7-18(23(41)33(15)49)29-26(44)28(46)22(40)32(48-29)36(53)57-13-16-12-50(20(51)14-55-4)34-17(16)8-9-19(24(34)42)30-25(43)27(45)21(39)31(47-30)35(52)56-5/h6-11,16H,12-14H2,1-5H3,(H2,45,47)(H2,46,48).

What are the key properties of [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate?

[6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate has a molecular weight of 831.61 g/mol, XLogP of 7.20, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-amino-5-chloro-3-fluoro-6-methoxycarbonyl-2-pyridinyl)-7-fluoro-1-(2-methoxyacetyl)-2,3-dihydroindol-3-yl]methyl 4-amino-3-chloro-6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 142548462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).