6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride

C21H24ClFN4O — CID 135324452

IUPAC6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride
SMILESO=C(NCCNC1CCNC1)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.[Cl-].[H+]
InChIInChI=1S/C21H23FN4O.ClH/c22-17-5-3-14(4-6-17)15-1-2-16-12-20(26-19(16)11-15)21(27)25-10-9-24-18-7-8-23-13-18;/h1-6,11-12,18,23-24,26H,7-10,13H2,(H,25,27);1H
InChIKeyWVPYSIJRKZNJOY-UHFFFAOYSA-N
MW402.90 g/mol
LogP-0.23
Rot. Bonds6

About 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride

6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride (PubChem CID 135324452) has the molecular formula C21H24ClFN4O and a molecular weight of 402.90 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride
PubChem CID135324452
Molecular FormulaC21H24ClFN4O
Molecular Weight402.90 g/mol
Exact Mass402.16
IUPAC Name6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride
SMILESO=C(NCCNC1CCNC1)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.[Cl-].[H+]
InChIInChI=1S/C21H23FN4O.ClH/c22-17-5-3-14(4-6-17)15-1-2-16-12-20(26-19(16)11-15)21(27)25-10-9-24-18-7-8-23-13-18;/h1-6,11-12,18,23-24,26H,7-10,13H2,(H,25,27);1H
InChIKeyWVPYSIJRKZNJOY-UHFFFAOYSA-N
XLogP-0.23
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide
CID 135324738
N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324289
N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride
CID 135324778
[(2S)-5-azaniumyl-5-cyclopropyl-1-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]pentan-2-yl]azanium dichloride
CID 135324301
4-[(4-aminocyclohexyl)amino]-1-[6-(4-fluorophenyl)-1H-indol-2-yl]butan-1-one
CID 159141899
6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44556230
N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 151951735
[(3S)-3-chloro-4-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]butyl]azanium
CID 156664162
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324352
6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride
CID 135323909
[(3S,5S)-1-benzyl-5-[[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]methyl]pyrrolidin-3-yl] carbamate
CID 174992929

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride?
The IUPAC name of 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride (CID 135324452) is 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride?
The canonical SMILES for 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride is O=C(NCCNC1CCNC1)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.[Cl-].[H+].
What is the InChIKey of 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride?
The InChIKey is WVPYSIJRKZNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O.ClH/c22-17-5-3-14(4-6-17)15-1-2-16-12-20(26-19(16)11-15)21(27)25-10-9-24-18-7-8-23-13-18;/h1-6,11-12,18,23-24,26H,7-10,13H2,(H,25,27);1H.
What are the key properties of 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride?
6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride has a molecular weight of 402.90 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride is sourced from PubChem (CID 135324452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).