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

C20H20N4S — CID 95229839

IUPAC(4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cccc2c(CN3CCc4[nH]cnc4[C@@H]3c3ccsc3)c[nH]c12
InChIInChI=1S/C20H20N4S/c1-13-3-2-4-16-15(9-21-18(13)16)10-24-7-5-17-19(23-12-22-17)20(24)14-6-8-25-11-14/h2-4,6,8-9,11-12,20-21H,5,7,10H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyGXQCLHBPYOCLBG-FQEVSTJZSA-N
MW348.48 g/mol
LogP4.41
Rot. Bonds3

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

(4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95229839) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is (4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95229839
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name(4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cccc2c(CN3CCc4[nH]cnc4[C@@H]3c3ccsc3)c[nH]c12
InChIInChI=1S/C20H20N4S/c1-13-3-2-4-16-15(9-21-18(13)16)10-24-7-5-17-19(23-12-22-17)20(24)14-6-8-25-11-14/h2-4,6,8-9,11-12,20-21H,5,7,10H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyGXQCLHBPYOCLBG-FQEVSTJZSA-N
XLogP4.41
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95229839) is (4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1cccc2c(CN3CCc4[nH]cnc4[C@@H]3c3ccsc3)c[nH]c12.
What is the InChIKey of (4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is GXQCLHBPYOCLBG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N4S/c1-13-3-2-4-16-15(9-21-18(13)16)10-24-7-5-17-19(23-12-22-17)20(24)14-6-8-25-11-14/h2-4,6,8-9,11-12,20-21H,5,7,10H2,1H3,(H,22,23)/t20-/m0/s1.
What are the key properties of (4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 348.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95229839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).