5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole

C93H110N12O3 — CID 159082798

IUPAC5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole
SMILESCCCC1(c2ccc3[nH]ccc3c2)CCNC1.CCCCC1(c2ccc3[nH]ccc3c2)CCNC1.CCOC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.CN(C)C(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.c1ccc(CC2(c3cnc4[nH]ccc4c3)CCNC2)cc1
InChIInChI=1S/C22H25N3O.C22H24N2O2.C18H19N3.C16H22N2.C15H20N2/c1-25(2)21(26)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16;1-2-26-21(25)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16;1-2-4-14(5-3-1)11-18(7-9-19-13-18)16-10-15-6-8-20-17(15)21-12-16;1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15;1-2-6-15(7-9-16-11-15)13-3-4-14-12(10-13)5-8-17-14/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3;3-9,12-13,23-24H,2,10-11,14-15H2,1H3;1-6,8,10,12,19H,7,9,11,13H2,(H,20,21);4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3;3-5,8,10,16-17H,2,6-7,9,11H2,1H3
InChIKeyKBBJQRIUNGWBHM-UHFFFAOYSA-N
MW1443.98 g/mol
LogP16.99
Rot. Bonds19

About 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole

5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole (PubChem CID 159082798) has the molecular formula C93H110N12O3 and a molecular weight of 1443.98 g/mol. Its IUPAC name is 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole.

Molecular Properties

Compound Name5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole
PubChem CID159082798
Molecular FormulaC93H110N12O3
Molecular Weight1443.98 g/mol
Exact Mass1442.88
IUPAC Name5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole
SMILESCCCC1(c2ccc3[nH]ccc3c2)CCNC1.CCCCC1(c2ccc3[nH]ccc3c2)CCNC1.CCOC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.CN(C)C(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.c1ccc(CC2(c3cnc4[nH]ccc4c3)CCNC2)cc1
InChIInChI=1S/C22H25N3O.C22H24N2O2.C18H19N3.C16H22N2.C15H20N2/c1-25(2)21(26)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16;1-2-26-21(25)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16;1-2-4-14(5-3-1)11-18(7-9-19-13-18)16-10-15-6-8-20-17(15)21-12-16;1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15;1-2-6-15(7-9-16-11-15)13-3-4-14-12(10-13)5-8-17-14/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3;3-9,12-13,23-24H,2,10-11,14-15H2,1H3;1-6,8,10,12,19H,7,9,11,13H2,(H,20,21);4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3;3-5,8,10,16-17H,2,6-7,9,11H2,1H3
InChIKeyKBBJQRIUNGWBHM-UHFFFAOYSA-N
XLogP16.99
TPSA198.60 Ų
H-Bond Donors10
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.98
LogP ≤ 516.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 109

Analyze 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole with MolForge

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Related Compounds

methyl 5-[[5-(1H-indole-5-carbonylamino)-2-methylphenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76900625
US8785489, ethyl 5-{4-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]-1H-imidazol-5-yl}-1H-indole-2-carboxylate
CID 45377002
US8785489, ethyl 3-fluoro-5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]-1H-imidazol-4-yl}-1H-indole-2-carboxylate
CID 66989388
methyl 5-(1H-indol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 89899410
methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 70866060
ethyl 5-[4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]-1H-indole-2-carboxylate
CID 45376220
6-[5-[10-[2-[1-[2-(4,4-difluorocyclohexyl)-2-(methoxymethylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazin-3-yl]-1H-imidazol-2-yl]-3-(4-ethenyl-4-fluorocyclohexyl)-1-methoxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
CID 123378744
methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 19876055
ethyl 5-[2-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]cyclopenten-1-yl]-1H-indole-2-carboxylate
CID 44192709
ethyl 3-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]benzoate
CID 54575252
ethyl 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1H-imidazol-4-yl]-1H-indole-2-carboxylate
CID 58506174
dimethyl 3-(1H-indol-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dicarboxylate
CID 58784922

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole?
The IUPAC name of 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole (CID 159082798) is 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole.
What is the SMILES notation for 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole?
The canonical SMILES for 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole is CCCC1(c2ccc3[nH]ccc3c2)CCNC1.CCCCC1(c2ccc3[nH]ccc3c2)CCNC1.CCOC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.CN(C)C(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1.c1ccc(CC2(c3cnc4[nH]ccc4c3)CCNC2)cc1.
What is the InChIKey of 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole?
The InChIKey is KBBJQRIUNGWBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.C22H24N2O2.C18H19N3.C16H22N2.C15H20N2/c1-25(2)21(26)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16;1-2-26-21(25)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16;1-2-4-14(5-3-1)11-18(7-9-19-13-18)16-10-15-6-8-20-17(15)21-12-16;1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15;1-2-6-15(7-9-16-11-15)13-3-4-14-12(10-13)5-8-17-14/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3;3-9,12-13,23-24H,2,10-11,14-15H2,1H3;1-6,8,10,12,19H,7,9,11,13H2,(H,20,21);4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3;3-5,8,10,16-17H,2,6-7,9,11H2,1H3.
What are the key properties of 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole?
5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole has a molecular weight of 1443.98 g/mol, XLogP of 16.99, 19 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole is sourced from PubChem (CID 159082798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).