5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole

C25H25N3 — CID 66865500

IUPAC5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole
SMILESc1ccc(CN2CCC(Cc3ccccn3)(c3ccc4[nH]ccc4c3)C2)cc1
InChIInChI=1S/C25H25N3/c1-2-6-20(7-3-1)18-28-15-12-25(19-28,17-23-8-4-5-13-26-23)22-9-10-24-21(16-22)11-14-27-24/h1-11,13-14,16,27H,12,15,17-19H2
InChIKeyAHTJUAVVLUERHY-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.95
Rot. Bonds5

About 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole

5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole (PubChem CID 66865500) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole.

Molecular Properties

Compound Name5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole
PubChem CID66865500
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole
SMILESc1ccc(CN2CCC(Cc3ccccn3)(c3ccc4[nH]ccc4c3)C2)cc1
InChIInChI=1S/C25H25N3/c1-2-6-20(7-3-1)18-28-15-12-25(19-28,17-23-8-4-5-13-26-23)22-9-10-24-21(16-22)11-14-27-24/h1-11,13-14,16,27H,12,15,17-19H2
InChIKeyAHTJUAVVLUERHY-UHFFFAOYSA-N
XLogP4.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 127245807
6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole
CID 130972580
8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146043345
5-(1,3-dibenzylpyrrolidin-3-yl)-1-(oxan-2-yl)indazole
CID 66866271
tert-butyl 5-(1,3-dibenzylpyrrolidin-3-yl)indole-1-carboxylate
CID 66866480
[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone
CID 59744730
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906669
[(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol
CID 42291689
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
1-benzyl-3-pyridin-2-ylpiperidin-3-amine
CID 83693801
4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline
CID 135322521

Frequently Asked Questions

What is the IUPAC name of 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole?
The IUPAC name of 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole (CID 66865500) is 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole.
What is the SMILES notation for 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole?
The canonical SMILES for 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole is c1ccc(CN2CCC(Cc3ccccn3)(c3ccc4[nH]ccc4c3)C2)cc1.
What is the InChIKey of 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole?
The InChIKey is AHTJUAVVLUERHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-2-6-20(7-3-1)18-28-15-12-25(19-28,17-23-8-4-5-13-26-23)22-9-10-24-21(16-22)11-14-27-24/h1-11,13-14,16,27H,12,15,17-19H2.
What are the key properties of 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole?
5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole has a molecular weight of 367.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole is sourced from PubChem (CID 66865500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).