N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride

C20H25Cl2FN4O — CID 135324109

IUPACN-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCC[C@H](N)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C20H23FN4O.2ClH/c21-16-7-5-13(6-8-16)14-3-4-15-11-19(25-18(15)10-14)20(26)24-12-17(23)2-1-9-22;;/h3-8,10-11,17,25H,1-2,9,12,22-23H2,(H,24,26);2*1H/t17-;;/m0../s1
InChIKeyRGZFSCFYEWGPMB-RMRYJAPISA-N
MW427.35 g/mol
LogP3.61
Rot. Bonds7

About N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride

N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 135324109) has the molecular formula C20H25Cl2FN4O and a molecular weight of 427.35 g/mol. Its IUPAC name is N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
PubChem CID135324109
Molecular FormulaC20H25Cl2FN4O
Molecular Weight427.35 g/mol
Exact Mass426.14
IUPAC NameN-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCC[C@H](N)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C20H23FN4O.2ClH/c21-16-7-5-13(6-8-16)14-3-4-15-11-19(25-18(15)10-14)20(26)24-12-17(23)2-1-9-22;;/h3-8,10-11,17,25H,1-2,9,12,22-23H2,(H,24,26);2*1H/t17-;;/m0../s1
InChIKeyRGZFSCFYEWGPMB-RMRYJAPISA-N
XLogP3.61
TPSA96.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
CID 135324569
6-(3-chloro-4-fluorophenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324438
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324352
N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methoxyphenyl)-1H-indole-2-carboxamide
CID 135324188
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324687
6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
CID 135324678
[(3S)-3-chloro-4-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]butyl]azanium
CID 156664162
6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
CID 135323889
N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide
CID 135324583
N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide
CID 137385157
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
CID 135324548
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1H-benzimidazol-3-ium-2-carboxamide
CID 153489434

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride (CID 135324109) is N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride is Cl.Cl.NCCC[C@H](N)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is RGZFSCFYEWGPMB-RMRYJAPISA-N. The full InChI is InChI=1S/C20H23FN4O.2ClH/c21-16-7-5-13(6-8-16)14-3-4-15-11-19(25-18(15)10-14)20(26)24-12-17(23)2-1-9-22;;/h3-8,10-11,17,25H,1-2,9,12,22-23H2,(H,24,26);2*1H/t17-;;/m0../s1.
What are the key properties of N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride?
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 427.35 g/mol, XLogP of 3.61, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 135324109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).