N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide

C106H109F5N16O7 — CID 159805486

IUPACN-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide
SMILESNCCC[C@@H](N)CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccc(C(=O)O)cc1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1ccc(F)cc1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(OCc2ccccc2)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C33H33FN4O2.C27H27FN4O3.C26H26F2N4O.C20H23FN4O/c34-26-14-11-23(12-15-26)24-13-16-30-29(19-24)31(32(38-30)33(39)37-20-27(36)9-5-17-35)25-8-4-10-28(18-25)40-21-22-6-2-1-3-7-22;28-20-10-7-16(8-11-20)19-9-12-22-23(14-19)32-25(26(33)31-15-21(30)2-1-13-29)24(22)17-3-5-18(6-4-17)27(34)35;27-19-8-3-16(4-9-19)18-7-12-23-22(14-18)24(17-5-10-20(28)11-6-17)25(32-23)26(33)31-15-21(30)2-1-13-29;21-14-9-7-13(8-10-14)18-16-5-1-2-6-17(16)25-19(18)20(26)24-12-15(23)4-3-11-22/h1-4,6-8,10-16,18-19,27,38H,5,9,17,20-21,35-36H2,(H,37,39);3-12,14,21,32H,1-2,13,15,29-30H2,(H,31,33)(H,34,35);3-12,14,21,32H,1-2,13,15,29-30H2,(H,31,33);1-2,5-10,15,25H,3-4,11-12,22-23H2,(H,24,26)/t27-;2*21-;15-/m0100/s1
InChIKeyNKIHNQIDSPTPME-FBTNZJEBSA-N
MW1814.13 g/mol
LogP17.50
Rot. Bonds35

About N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide

N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide (PubChem CID 159805486) has the molecular formula C106H109F5N16O7 and a molecular weight of 1814.13 g/mol. Its IUPAC name is N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide
PubChem CID159805486
Molecular FormulaC106H109F5N16O7
Molecular Weight1814.13 g/mol
Exact Mass1812.86
IUPAC NameN-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide
SMILESNCCC[C@@H](N)CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccc(C(=O)O)cc1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1ccc(F)cc1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(OCc2ccccc2)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C33H33FN4O2.C27H27FN4O3.C26H26F2N4O.C20H23FN4O/c34-26-14-11-23(12-15-26)24-13-16-30-29(19-24)31(32(38-30)33(39)37-20-27(36)9-5-17-35)25-8-4-10-28(18-25)40-21-22-6-2-1-3-7-22;28-20-10-7-16(8-11-20)19-9-12-22-23(14-19)32-25(26(33)31-15-21(30)2-1-13-29)24(22)17-3-5-18(6-4-17)27(34)35;27-19-8-3-16(4-9-19)18-7-12-23-22(14-18)24(17-5-10-20(28)11-6-17)25(32-23)26(33)31-15-21(30)2-1-13-29;21-14-9-7-13(8-10-14)18-16-5-1-2-6-17(16)25-19(18)20(26)24-12-15(23)4-3-11-22/h1-4,6-8,10-16,18-19,27,38H,5,9,17,20-21,35-36H2,(H,37,39);3-12,14,21,32H,1-2,13,15,29-30H2,(H,31,33)(H,34,35);3-12,14,21,32H,1-2,13,15,29-30H2,(H,31,33);1-2,5-10,15,25H,3-4,11-12,22-23H2,(H,24,26)/t27-;2*21-;15-/m0100/s1
InChIKeyNKIHNQIDSPTPME-FBTNZJEBSA-N
XLogP17.50
TPSA434.25 Ų
H-Bond Donors17
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001814.13
LogP ≤ 517.50
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1014

Analyze N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide (CID 159805486) is N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide is NCCC[C@@H](N)CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccc(C(=O)O)cc1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1ccc(F)cc1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1-c1cccc(OCc2ccccc2)c1.NCCC[C@H](N)CNC(=O)c1[nH]c2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is NKIHNQIDSPTPME-FBTNZJEBSA-N. The full InChI is InChI=1S/C33H33FN4O2.C27H27FN4O3.C26H26F2N4O.C20H23FN4O/c34-26-14-11-23(12-15-26)24-13-16-30-29(19-24)31(32(38-30)33(39)37-20-27(36)9-5-17-35)25-8-4-10-28(18-25)40-21-22-6-2-1-3-7-22;28-20-10-7-16(8-11-20)19-9-12-22-23(14-19)32-25(26(33)31-15-21(30)2-1-13-29)24(22)17-3-5-18(6-4-17)27(34)35;27-19-8-3-16(4-9-19)18-7-12-23-22(14-18)24(17-5-10-20(28)11-6-17)25(32-23)26(33)31-15-21(30)2-1-13-29;21-14-9-7-13(8-10-14)18-16-5-1-2-6-17(16)25-19(18)20(26)24-12-15(23)4-3-11-22/h1-4,6-8,10-16,18-19,27,38H,5,9,17,20-21,35-36H2,(H,37,39);3-12,14,21,32H,1-2,13,15,29-30H2,(H,31,33)(H,34,35);3-12,14,21,32H,1-2,13,15,29-30H2,(H,31,33);1-2,5-10,15,25H,3-4,11-12,22-23H2,(H,24,26)/t27-;2*21-;15-/m0100/s1.
What are the key properties of N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide?
N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 1814.13 g/mol, XLogP of 17.50, 35 rotatable bonds, 17 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide;4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid;N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 159805486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).