3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C26H24FN5 — CID 67577259

IUPAC3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESFc1cccc(CC(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)c2ccncc2)c1
InChIInChI=1S/C26H24FN5/c27-23-6-1-3-19(14-23)13-21(20-9-11-28-12-10-20)4-2-5-22-16-29-26-8-7-24(15-25(22)26)32-17-30-31-18-32/h1,3,6-12,14-18,21,29H,2,4-5,13H2
InChIKeyKMXNTFSZSANEKU-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.63
Rot. Bonds8

About 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 67577259) has the molecular formula C26H24FN5 and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID67577259
Molecular FormulaC26H24FN5
Molecular Weight425.51 g/mol
Exact Mass425.20
IUPAC Name3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESFc1cccc(CC(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)c2ccncc2)c1
InChIInChI=1S/C26H24FN5/c27-23-6-1-3-19(14-23)13-21(20-9-11-28-12-10-20)4-2-5-22-16-29-26-8-7-24(15-25(22)26)32-17-30-31-18-32/h1,3,6-12,14-18,21,29H,2,4-5,13H2
InChIKeyKMXNTFSZSANEKU-UHFFFAOYSA-N
XLogP5.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole with MolForge

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Related Compounds

3-[2-fluoro-3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10575553
3-[3-[(3aS,6aR)-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 18665175
(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol
CID 10611350
3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57263001
3-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-1-ol
CID 70104878
3-[3-[4-fluoro-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10647181
(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 10736491
3-[3-[4-[1-(4-fluorophenyl)-2-methoxyethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57037506
3-[(2R)-2-fluoro-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67594021
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one
CID 67720293
3-[3-(4-benzyl-3-methylpiperazin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67690579

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 67577259) is 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole is Fc1cccc(CC(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)c2ccncc2)c1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is KMXNTFSZSANEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5/c27-23-6-1-3-19(14-23)13-21(20-9-11-28-12-10-20)4-2-5-22-16-29-26-8-7-24(15-25(22)26)32-17-30-31-18-32/h1,3,6-12,14-18,21,29H,2,4-5,13H2.
What are the key properties of 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 425.51 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 67577259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).