2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

C18H23FN2S — CID 178091577

IUPAC2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCN1CCC[C@@H]1Cc1c(C2CC2)[nH]c2cccc(SCF)c12
InChIInChI=1S/C18H23FN2S/c1-21-9-3-4-13(21)10-14-17-15(20-18(14)12-7-8-12)5-2-6-16(17)22-11-19/h2,5-6,12-13,20H,3-4,7-11H2,1H3/t13-/m1/s1
InChIKeyCPSHIJCHECIWLC-CYBMUJFWSA-N
MW318.46 g/mol
LogP4.70
Rot. Bonds5

About 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 178091577) has the molecular formula C18H23FN2S and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
PubChem CID178091577
Molecular FormulaC18H23FN2S
Molecular Weight318.46 g/mol
Exact Mass318.16
IUPAC Name2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCN1CCC[C@@H]1Cc1c(C2CC2)[nH]c2cccc(SCF)c12
InChIInChI=1S/C18H23FN2S/c1-21-9-3-4-13(21)10-14-17-15(20-18(14)12-7-8-12)5-2-6-16(17)22-11-19/h2,5-6,12-13,20H,3-4,7-11H2,1H3/t13-/m1/s1
InChIKeyCPSHIJCHECIWLC-CYBMUJFWSA-N
XLogP4.70
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (CID 178091577) is 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is CN1CCC[C@@H]1Cc1c(C2CC2)[nH]c2cccc(SCF)c12.
What is the InChIKey of 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is CPSHIJCHECIWLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN2S/c1-21-9-3-4-13(21)10-14-17-15(20-18(14)12-7-8-12)5-2-6-16(17)22-11-19/h2,5-6,12-13,20H,3-4,7-11H2,1H3/t13-/m1/s1.
What are the key properties of 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 318.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(fluoromethylsulfanyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 178091577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).