(4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H23FN4S — CID 95216928

IUPAC(4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCSCC[C@H]1c2nc[nH]c2CCN1Cc1[nH]c2ccc(F)cc2c1C
InChIInChI=1S/C19H23FN4S/c1-12-14-9-13(20)3-4-15(14)23-17(12)10-24-7-5-16-19(22-11-21-16)18(24)6-8-25-2/h3-4,9,11,18,23H,5-8,10H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyPIGYMFIYHNVLHK-SFHVURJKSA-N
MW358.49 g/mol
LogP4.19
Rot. Bonds5

About (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95216928) has the molecular formula C19H23FN4S and a molecular weight of 358.49 g/mol. Its IUPAC name is (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95216928
Molecular FormulaC19H23FN4S
Molecular Weight358.49 g/mol
Exact Mass358.16
IUPAC Name(4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCSCC[C@H]1c2nc[nH]c2CCN1Cc1[nH]c2ccc(F)cc2c1C
InChIInChI=1S/C19H23FN4S/c1-12-14-9-13(20)3-4-15(14)23-17(12)10-24-7-5-16-19(22-11-21-16)18(24)6-8-25-2/h3-4,9,11,18,23H,5-8,10H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyPIGYMFIYHNVLHK-SFHVURJKSA-N
XLogP4.19
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95216928) is (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CSCC[C@H]1c2nc[nH]c2CCN1Cc1[nH]c2ccc(F)cc2c1C.
What is the InChIKey of (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PIGYMFIYHNVLHK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23FN4S/c1-12-14-9-13(20)3-4-15(14)23-17(12)10-24-7-5-16-19(22-11-21-16)18(24)6-8-25-2/h3-4,9,11,18,23H,5-8,10H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 358.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95216928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).