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Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one

C79H94F3N9O7 — CID 159025155

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACbis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2cccnc21.CC(C)N1C(=O)Cc2ncccc21.Cc1c(F)ccc2c1N(C(C)C)C(=O)C2.Cc1c(F)ccc2c1N(C(C)C)C(=O)C2.Cc1ccc2c(c1)N(C(C)C)C(=O)C2.Cc1ccc2c(c1F)N(C(C)C)C(=O)C2
InChIInChI=1S/3C12H14FNO.C12H15NO.C11H13NO.2C10H12N2O/c2*1-7(2)14-11(15)6-9-4-5-10(13)8(3)12(9)14;1-7(2)14-10(15)6-9-5-4-8(3)11(13)12(9)14;1-8(2)13-11-6-9(3)4-5-10(11)7-12(13)14;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9(13)6-8-4-3-5-11-10(8)12/h3*4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;3-6,8H,7H2,1-2H3;2*3-5,7H,6H2,1-2H3
InChIKeyJUEOLLLRZDYFRK-UHFFFAOYSA-N
MW1338.67 g/mol
LogP14.33
Rot. Bonds7

About Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one

Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 159025155) has the molecular formula C79H94F3N9O7 and a molecular weight of 1338.67 g/mol. Its IUPAC name is bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound NameBis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID159025155
Molecular FormulaC79H94F3N9O7
Molecular Weight1338.67 g/mol
Exact Mass1337.72
IUPAC Namebis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2cccnc21.CC(C)N1C(=O)Cc2ncccc21.Cc1c(F)ccc2c1N(C(C)C)C(=O)C2.Cc1c(F)ccc2c1N(C(C)C)C(=O)C2.Cc1ccc2c(c1)N(C(C)C)C(=O)C2.Cc1ccc2c(c1F)N(C(C)C)C(=O)C2
InChIInChI=1S/3C12H14FNO.C12H15NO.C11H13NO.2C10H12N2O/c2*1-7(2)14-11(15)6-9-4-5-10(13)8(3)12(9)14;1-7(2)14-10(15)6-9-5-4-8(3)11(13)12(9)14;1-8(2)13-11-6-9(3)4-5-10(11)7-12(13)14;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9(13)6-8-4-3-5-11-10(8)12/h3*4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;3-6,8H,7H2,1-2H3;2*3-5,7H,6H2,1-2H3
InChIKeyJUEOLLLRZDYFRK-UHFFFAOYSA-N
XLogP14.33
TPSA167.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001338.67
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one (CID 159025155) is bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one is CC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2cccnc21.CC(C)N1C(=O)Cc2ncccc21.Cc1c(F)ccc2c1N(C(C)C)C(=O)C2.Cc1c(F)ccc2c1N(C(C)C)C(=O)C2.Cc1ccc2c(c1)N(C(C)C)C(=O)C2.Cc1ccc2c(c1F)N(C(C)C)C(=O)C2.
What is the InChIKey of Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is JUEOLLLRZDYFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H14FNO.C12H15NO.C11H13NO.2C10H12N2O/c2*1-7(2)14-11(15)6-9-4-5-10(13)8(3)12(9)14;1-7(2)14-10(15)6-9-5-4-8(3)11(13)12(9)14;1-8(2)13-11-6-9(3)4-5-10(11)7-12(13)14;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9(13)6-8-4-3-5-11-10(8)12/h3*4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;3-6,8H,7H2,1-2H3;2*3-5,7H,6H2,1-2H3.
What are the key properties of Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 1338.67 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(6-fluoro-7-methyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 159025155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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