7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole

C17H23FN2O — CID 166158095

IUPAC7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCOc1cc(F)c2[nH]cc(C[C@H]3CCCN3C(C)C)c2c1
InChIInChI=1S/C17H23FN2O/c1-11(2)20-6-4-5-13(20)7-12-10-19-17-15(12)8-14(21-3)9-16(17)18/h8-11,13,19H,4-7H2,1-3H3/t13-/m1/s1
InChIKeyGGBRPWIMQSKXSJ-CYBMUJFWSA-N
MW290.38 g/mol
LogP3.73
Rot. Bonds4

About 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole

7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 166158095) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole
PubChem CID166158095
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCOc1cc(F)c2[nH]cc(C[C@H]3CCCN3C(C)C)c2c1
InChIInChI=1S/C17H23FN2O/c1-11(2)20-6-4-5-13(20)7-12-10-19-17-15(12)8-14(21-3)9-16(17)18/h8-11,13,19H,4-7H2,1-3H3/t13-/m1/s1
InChIKeyGGBRPWIMQSKXSJ-CYBMUJFWSA-N
XLogP3.73
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole (CID 166158095) is 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole is COc1cc(F)c2[nH]cc(C[C@H]3CCCN3C(C)C)c2c1.
What is the InChIKey of 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is GGBRPWIMQSKXSJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11(2)20-6-4-5-13(20)7-12-10-19-17-15(12)8-14(21-3)9-16(17)18/h8-11,13,19H,4-7H2,1-3H3/t13-/m1/s1.
What are the key properties of 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole?
7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 290.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 166158095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).