5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole

C61H65N7O — CID 143864208

IUPAC5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole
SMILESCOc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1.N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.c1ccc(CCC2(Cc3ccc4[nH]ccc4c3)CCNC2)cc1
InChIInChI=1S/C21H24N2.C20H19N3.C20H22N2O/c1-2-4-17(5-3-1)8-10-21(11-13-22-16-21)15-18-6-7-20-19(14-18)9-12-23-20;21-13-18-11-16-10-17(6-7-19(16)23-18)20(8-9-22-14-20)12-15-4-2-1-3-5-15;1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h1-7,9,12,14,22-23H,8,10-11,13,15-16H2;1-7,10-11,22-23H,8-9,12,14H2;2-7,9,11-12,21-22H,8,10,13-14H2,1H3
InChIKeySONUGGCLISTBBM-UHFFFAOYSA-N
MW912.24 g/mol
LogP11.49
Rot. Bonds12

About 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole

5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole (PubChem CID 143864208) has the molecular formula C61H65N7O and a molecular weight of 912.24 g/mol. Its IUPAC name is 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole
PubChem CID143864208
Molecular FormulaC61H65N7O
Molecular Weight912.24 g/mol
Exact Mass911.53
IUPAC Name5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole
SMILESCOc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1.N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.c1ccc(CCC2(Cc3ccc4[nH]ccc4c3)CCNC2)cc1
InChIInChI=1S/C21H24N2.C20H19N3.C20H22N2O/c1-2-4-17(5-3-1)8-10-21(11-13-22-16-21)15-18-6-7-20-19(14-18)9-12-23-20;21-13-18-11-16-10-17(6-7-19(16)23-18)20(8-9-22-14-20)12-15-4-2-1-3-5-15;1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h1-7,9,12,14,22-23H,8,10-11,13,15-16H2;1-7,10-11,22-23H,8-9,12,14H2;2-7,9,11-12,21-22H,8,10,13-14H2,1H3
InChIKeySONUGGCLISTBBM-UHFFFAOYSA-N
XLogP11.49
TPSA116.48 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500912.24
LogP ≤ 511.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole with MolForge

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Related Compounds

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3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
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5-(3-benzylpyrrolidin-3-yl)-2-cyanoindole-1-carboxylic acid
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(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride
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CID 83823063
4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride
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[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole?
The IUPAC name of 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole (CID 143864208) is 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole.
What is the SMILES notation for 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole?
The canonical SMILES for 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole is COc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1.N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.c1ccc(CCC2(Cc3ccc4[nH]ccc4c3)CCNC2)cc1.
What is the InChIKey of 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole?
The InChIKey is SONUGGCLISTBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2.C20H19N3.C20H22N2O/c1-2-4-17(5-3-1)8-10-21(11-13-22-16-21)15-18-6-7-20-19(14-18)9-12-23-20;21-13-18-11-16-10-17(6-7-19(16)23-18)20(8-9-22-14-20)12-15-4-2-1-3-5-15;1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h1-7,9,12,14,22-23H,8,10-11,13,15-16H2;1-7,10-11,22-23H,8-9,12,14H2;2-7,9,11-12,21-22H,8,10,13-14H2,1H3.
What are the key properties of 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole?
5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole has a molecular weight of 912.24 g/mol, XLogP of 11.49, 12 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole is sourced from PubChem (CID 143864208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).