1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine

C19H21N5 — CID 70068348

IUPAC1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)N(c1ccc3[nH]cc(CC4CCCN4)c3c1)CN2
InChIInChI=1S/C19H21N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-19-18(24)4-2-8-21-19/h2,4-6,8,10-11,14,20,22H,1,3,7,9,12H2,(H,21,23)
InChIKeyJPUYIRXWCOANRV-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.38
Rot. Bonds3

About 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine

1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine (PubChem CID 70068348) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
PubChem CID70068348
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)N(c1ccc3[nH]cc(CC4CCCN4)c3c1)CN2
InChIInChI=1S/C19H21N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-19-18(24)4-2-8-21-19/h2,4-6,8,10-11,14,20,22H,1,3,7,9,12H2,(H,21,23)
InChIKeyJPUYIRXWCOANRV-UHFFFAOYSA-N
XLogP3.38
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine with MolForge

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Related Compounds

1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 54438250
3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
CID 67247276
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
CID 54191392
1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile
CID 54110499
4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole
CID 19702143
5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 22873790
1-(4-fluoro-3,5-dimethylphenyl)-2,3-dihydroimidazo[4,5-b]pyridine
CID 164884576
(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine
CID 67185221
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
CID 84644063
benzyl (2R)-2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;5-methoxy-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 157165509

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine (CID 70068348) is 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine is c1cnc2c(c1)N(c1ccc3[nH]cc(CC4CCCN4)c3c1)CN2.
What is the InChIKey of 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine?
The InChIKey is JPUYIRXWCOANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-19-18(24)4-2-8-21-19/h2,4-6,8,10-11,14,20,22H,1,3,7,9,12H2,(H,21,23).
What are the key properties of 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine?
1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine has a molecular weight of 319.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 70068348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).