6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile

C21H17FN6 — CID 110194467

IUPAC6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1NCCCc1nc2ccncc2[nH]1
InChIInChI=1S/C21H17FN6/c22-16-6-3-14(4-7-16)17-8-5-15(12-23)21(28-17)25-10-1-2-20-26-18-9-11-24-13-19(18)27-20/h3-9,11,13H,1-2,10H2,(H,25,28)(H,26,27)
InChIKeySPIYJAQFSYSXSZ-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.08
Rot. Bonds6

About 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile

6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile (PubChem CID 110194467) has the molecular formula C21H17FN6 and a molecular weight of 372.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile
PubChem CID110194467
Molecular FormulaC21H17FN6
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1NCCCc1nc2ccncc2[nH]1
InChIInChI=1S/C21H17FN6/c22-16-6-3-14(4-7-16)17-8-5-15(12-23)21(28-17)25-10-1-2-20-26-18-9-11-24-13-19(18)27-20/h3-9,11,13H,1-2,10H2,(H,25,28)(H,26,27)
InChIKeySPIYJAQFSYSXSZ-UHFFFAOYSA-N
XLogP4.08
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile
CID 110194457
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-6-(4-fluorophenyl)-3-nitropyridin-2-amine
CID 110194513
3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methylpropan-1-amine
CID 63268455
N-[4-(1H-benzimidazol-2-yl)butyl]-6-(4-fluorophenyl)-3-nitropyridin-2-amine
CID 110194505
ethyl 2-[3-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]amino]propyl]-1-methylbenzimidazole-5-carboxylate
CID 110194461
N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine
CID 110170150
4-[3-(1H-benzimidazol-2-yl)propylamino]-2-chlorobenzonitrile
CID 133359345
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474
4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile
CID 133378485
6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
CID 62197922
2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]pyridine-3-carbonitrile
CID 133465110
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133349441

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile (CID 110194467) is 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(F)cc2)nc1NCCCc1nc2ccncc2[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile?
The InChIKey is SPIYJAQFSYSXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6/c22-16-6-3-14(4-7-16)17-8-5-15(12-23)21(28-17)25-10-1-2-20-26-18-9-11-24-13-19(18)27-20/h3-9,11,13H,1-2,10H2,(H,25,28)(H,26,27).
What are the key properties of 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile?
6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile has a molecular weight of 372.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 110194467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).