3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole

C25H25FN4 — CID 5182882

IUPAC3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccccn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN4/c1-18-24(21-6-2-3-7-22(21)28-18)25(23-8-4-5-13-27-23)30-16-14-29(15-17-30)20-11-9-19(26)10-12-20/h2-13,25,28H,14-17H2,1H3
InChIKeyYTYZIQLASLKRKT-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.92
Rot. Bonds4

About 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole

3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole (PubChem CID 5182882) has the molecular formula C25H25FN4 and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole
PubChem CID5182882
Molecular FormulaC25H25FN4
Molecular Weight400.50 g/mol
Exact Mass400.21
IUPAC Name3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccccn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN4/c1-18-24(21-6-2-3-7-22(21)28-18)25(23-8-4-5-13-27-23)30-16-14-29(15-17-30)20-11-9-19(26)10-12-20/h2-13,25,28H,14-17H2,1H3
InChIKeyYTYZIQLASLKRKT-UHFFFAOYSA-N
XLogP4.92
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 5056524
3-[[4-(4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethyl]-2-methyl-1H-indole
CID 4163029
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42535984
2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-2-ylmethyl]-1H-indole
CID 7113557
2-methyl-3-[(S)-(4-phenylpiperazin-1-yl)-thiophen-2-ylmethyl]-1H-indole
CID 1251311
4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736687
3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole
CID 110453783
4-fluoro-N-[2-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736686
(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol
CID 696635
7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
CID 28721808
3-[(R)-(2-methoxyphenyl)-[4-[(S)-(2-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1H-indole
CID 98146114
2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole
CID 830462

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole?
The IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole (CID 5182882) is 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C(c1ccccn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole?
The InChIKey is YTYZIQLASLKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4/c1-18-24(21-6-2-3-7-22(21)28-18)25(23-8-4-5-13-27-23)30-16-14-29(15-17-30)20-11-9-19(26)10-12-20/h2-13,25,28H,14-17H2,1H3.
What are the key properties of 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole?
3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole has a molecular weight of 400.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole is sourced from PubChem (CID 5182882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).