5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole

C161H167FN18O — CID 157470234

IUPAC5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole
SMILESCOc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1.Cn1ccc2cc(C3(Cc4ccccc4)CCNC3)ccc21.Fc1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1.N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1.c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)nc1.c1ccc(CN2CCC(Cc3ccccc3)(c3ccc4[nH]ccc4c3)C2)cc1.c1ccc(C[C@@]2(c3ccc4[nH]ccc4c3)CCNC2)cc1
InChIInChI=1S/C26H26N2.C20H19N3.C20H22N2O.C20H22N2.C19H19FN2.2C19H20N2.C18H19N3/c1-3-7-21(8-4-1)18-26(24-11-12-25-23(17-24)13-15-27-25)14-16-28(20-26)19-22-9-5-2-6-10-22;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;1-22-12-9-17-13-18(7-8-19(17)22)20(10-11-21-15-20)14-16-5-3-2-4-6-16;20-17-4-1-14(2-5-17)12-19(8-10-21-13-19)16-3-6-18-15(11-16)7-9-22-18;2*1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18;1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-13,15,17,27H,14,16,18-20H2;1-7,10-11,22-23H,8-9,12,14H2;2-7,9,11-12,21-22H,8,10,13-14H2,1H3;2-9,12-13,21H,10-11,14-15H2,1H3;1-7,9,11,21-22H,8,10,12-13H2;2*1-8,10,12,20-21H,9,11,13-14H2;1-6,8-9,11,19,21H,7,10,12-13H2/t;;;;;19-;;/m.....0../s1
InChIKeyBUYIGXHRATWOLC-CJVQPGGGSA-N
MW2389.23 g/mol
LogP30.47
Rot. Bonds27

About 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole

5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole (PubChem CID 157470234) has the molecular formula C161H167FN18O and a molecular weight of 2389.23 g/mol. Its IUPAC name is 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole.

Molecular Properties

Compound Name5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole
PubChem CID157470234
Molecular FormulaC161H167FN18O
Molecular Weight2389.23 g/mol
Exact Mass2387.36
IUPAC Name5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole
SMILESCOc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1.Cn1ccc2cc(C3(Cc4ccccc4)CCNC3)ccc21.Fc1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1.N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1.c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)nc1.c1ccc(CN2CCC(Cc3ccccc3)(c3ccc4[nH]ccc4c3)C2)cc1.c1ccc(C[C@@]2(c3ccc4[nH]ccc4c3)CCNC2)cc1
InChIInChI=1S/C26H26N2.C20H19N3.C20H22N2O.C20H22N2.C19H19FN2.2C19H20N2.C18H19N3/c1-3-7-21(8-4-1)18-26(24-11-12-25-23(17-24)13-15-27-25)14-16-28(20-26)19-22-9-5-2-6-10-22;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;1-22-12-9-17-13-18(7-8-19(17)22)20(10-11-21-15-20)14-16-5-3-2-4-6-16;20-17-4-1-14(2-5-17)12-19(8-10-21-13-19)16-3-6-18-15(11-16)7-9-22-18;2*1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18;1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-13,15,17,27H,14,16,18-20H2;1-7,10-11,22-23H,8-9,12,14H2;2-7,9,11-12,21-22H,8,10,13-14H2,1H3;2-9,12-13,21H,10-11,14-15H2,1H3;1-7,9,11,21-22H,8,10,12-13H2;2*1-8,10,12,20-21H,9,11,13-14H2;1-6,8-9,11,19,21H,7,10,12-13H2/t;;;;;19-;;/m.....0../s1
InChIKeyBUYIGXHRATWOLC-CJVQPGGGSA-N
XLogP30.47
TPSA248.82 Ų
H-Bond Donors14
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002389.23
LogP ≤ 530.47
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1012

Analyze 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole with MolForge

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Related Compounds

3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
CID 127035684
1-(4-fluorophenyl)-3-[1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methyl]-9H-pyrido[3,4-b]indole
CID 145954384
3-[1H-indol-3-yl-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-1H-indole-5-carbonitrile
CID 145972233
2-fluoro-3-[5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indol-2-yl]benzonitrile
CID 58200428
(2Z,4Z)-3-(4-fluorophenyl)-2-(1H-indol-3-yl)-5-(5-methoxy-1H-indol-3-yl)-4-pyridin-2-ylhexa-2,4-dienedinitrile
CID 87428866
3-[5-[[8-[(3-Methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129185761
(2Z,4Z)-2-[5-(4-fluorophenyl)-1H-indol-3-yl]-3,4-dipyridin-3-yl-5-[5-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]hexa-2,4-dienedinitrile
CID 130273776
2-[[5-[[1-[3-(1-Piperazin-2-ylethenylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile
CID 145323469
2-[[5-[[1-[3-(1-Piperazin-2-ylethenylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzene-1,3-dicarbonitrile
CID 145323612

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole?
The IUPAC name of 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole (CID 157470234) is 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole.
What is the SMILES notation for 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole?
The canonical SMILES for 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole is COc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1.Cn1ccc2cc(C3(Cc4ccccc4)CCNC3)ccc21.Fc1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1.N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1.c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)nc1.c1ccc(CN2CCC(Cc3ccccc3)(c3ccc4[nH]ccc4c3)C2)cc1.c1ccc(C[C@@]2(c3ccc4[nH]ccc4c3)CCNC2)cc1.
What is the InChIKey of 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole?
The InChIKey is BUYIGXHRATWOLC-CJVQPGGGSA-N. The full InChI is InChI=1S/C26H26N2.C20H19N3.C20H22N2O.C20H22N2.C19H19FN2.2C19H20N2.C18H19N3/c1-3-7-21(8-4-1)18-26(24-11-12-25-23(17-24)13-15-27-25)14-16-28(20-26)19-22-9-5-2-6-10-22;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;1-22-12-9-17-13-18(7-8-19(17)22)20(10-11-21-15-20)14-16-5-3-2-4-6-16;20-17-4-1-14(2-5-17)12-19(8-10-21-13-19)16-3-6-18-15(11-16)7-9-22-18;2*1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18;1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-13,15,17,27H,14,16,18-20H2;1-7,10-11,22-23H,8-9,12,14H2;2-7,9,11-12,21-22H,8,10,13-14H2,1H3;2-9,12-13,21H,10-11,14-15H2,1H3;1-7,9,11,21-22H,8,10,12-13H2;2*1-8,10,12,20-21H,9,11,13-14H2;1-6,8-9,11,19,21H,7,10,12-13H2/t;;;;;19-;;/m.....0../s1.
What are the key properties of 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole?
5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole has a molecular weight of 2389.23 g/mol, XLogP of 30.47, 27 rotatable bonds, 14 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole is sourced from PubChem (CID 157470234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).