1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine

C20H23N5 — CID 54438250

IUPAC1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(N3CNc4ncccc43)cc12
InChIInChI=1S/C20H23N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-20-19(25)5-2-8-21-20/h2,5-8,11-12,15,22H,3-4,9-10,13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyWMGBTGXIMXCBGA-OAHLLOKOSA-N
MW333.44 g/mol
LogP3.72
Rot. Bonds3

About 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine

1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine (PubChem CID 54438250) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
PubChem CID54438250
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(N3CNc4ncccc43)cc12
InChIInChI=1S/C20H23N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-20-19(25)5-2-8-21-20/h2,5-8,11-12,15,22H,3-4,9-10,13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyWMGBTGXIMXCBGA-OAHLLOKOSA-N
XLogP3.72
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine (CID 54438250) is 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine is CN1CCC[C@@H]1Cc1c[nH]c2ccc(N3CNc4ncccc43)cc12.
What is the InChIKey of 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine?
The InChIKey is WMGBTGXIMXCBGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-20-19(25)5-2-8-21-20/h2,5-8,11-12,15,22H,3-4,9-10,13H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine?
1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine has a molecular weight of 333.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 54438250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).