2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole

C24H22F2N4 — CID 58200729

IUPAC2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole
SMILESCc1cc(N2CCNCC2)ncc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C24H22F2N4/c1-15-11-23(30-9-7-27-8-10-30)28-14-18(15)16-5-6-21-17(12-16)13-22(29-21)24-19(25)3-2-4-20(24)26/h2-6,11-14,27,29H,7-10H2,1H3
InChIKeyNMIHZBYDZSVFDD-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.89
Rot. Bonds3

About 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole

2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole (PubChem CID 58200729) has the molecular formula C24H22F2N4 and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole
PubChem CID58200729
Molecular FormulaC24H22F2N4
Molecular Weight404.46 g/mol
Exact Mass404.18
IUPAC Name2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole
SMILESCc1cc(N2CCNCC2)ncc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C24H22F2N4/c1-15-11-23(30-9-7-27-8-10-30)28-14-18(15)16-5-6-21-17(12-16)13-22(29-21)24-19(25)3-2-4-20(24)26/h2-6,11-14,27,29H,7-10H2,1H3
InChIKeyNMIHZBYDZSVFDD-UHFFFAOYSA-N
XLogP4.89
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole (CID 58200729) is 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole is Cc1cc(N2CCNCC2)ncc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole?
The InChIKey is NMIHZBYDZSVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4/c1-15-11-23(30-9-7-27-8-10-30)28-14-18(15)16-5-6-21-17(12-16)13-22(29-21)24-19(25)3-2-4-20(24)26/h2-6,11-14,27,29H,7-10H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole?
2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole has a molecular weight of 404.46 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole is sourced from PubChem (CID 58200729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).