6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole

C19H18FN3S — CID 141054398

IUPAC6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole
SMILESFc1ccc2c3c(c(-c4ccc[nH]4)cc(S[C@H]4CCNC4)c13)CN2
InChIInChI=1S/C19H18FN3S/c20-14-3-4-16-18-13(10-23-16)12(15-2-1-6-22-15)8-17(19(14)18)24-11-5-7-21-9-11/h1-4,6,8,11,21-23H,5,7,9-10H2/t11-/m0/s1
InChIKeyQAXNPUHMOFUOIC-NSHDSACASA-N
MW339.44 g/mol
LogP4.35
Rot. Bonds3

About 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole

6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole (PubChem CID 141054398) has the molecular formula C19H18FN3S and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole.

Molecular Properties

Compound Name6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole
PubChem CID141054398
Molecular FormulaC19H18FN3S
Molecular Weight339.44 g/mol
Exact Mass339.12
IUPAC Name6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole
SMILESFc1ccc2c3c(c(-c4ccc[nH]4)cc(S[C@H]4CCNC4)c13)CN2
InChIInChI=1S/C19H18FN3S/c20-14-3-4-16-18-13(10-23-16)12(15-2-1-6-22-15)8-17(19(14)18)24-11-5-7-21-9-11/h1-4,6,8,11,21-23H,5,7,9-10H2/t11-/m0/s1
InChIKeyQAXNPUHMOFUOIC-NSHDSACASA-N
XLogP4.35
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole?
The IUPAC name of 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole (CID 141054398) is 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole.
What is the SMILES notation for 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole?
The canonical SMILES for 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole is Fc1ccc2c3c(c(-c4ccc[nH]4)cc(S[C@H]4CCNC4)c13)CN2.
What is the InChIKey of 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole?
The InChIKey is QAXNPUHMOFUOIC-NSHDSACASA-N. The full InChI is InChI=1S/C19H18FN3S/c20-14-3-4-16-18-13(10-23-16)12(15-2-1-6-22-15)8-17(19(14)18)24-11-5-7-21-9-11/h1-4,6,8,11,21-23H,5,7,9-10H2/t11-/m0/s1.
What are the key properties of 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole?
6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole has a molecular weight of 339.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[(3S)-pyrrolidin-3-yl]sulfanyl-3-(1H-pyrrol-2-yl)-1,2-dihydrobenzo[cd]indole is sourced from PubChem (CID 141054398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).