1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone

C28H26FN5O — CID 23374516

IUPAC1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone
SMILESCc1nc2cnccc2n1C1CCN(CC(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1
InChIInChI=1S/C28H26FN5O/c1-18-32-26-16-30-11-8-27(26)34(18)22-9-12-33(13-10-22)17-28(35)24-15-31-25-14-20(4-7-23(24)25)19-2-5-21(29)6-3-19/h2-8,11,14-16,22,31H,9-10,12-13,17H2,1H3
InChIKeyYFTPNLKOGXJVQG-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.55
Rot. Bonds5

About 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone

1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone (PubChem CID 23374516) has the molecular formula C28H26FN5O and a molecular weight of 467.55 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone
PubChem CID23374516
Molecular FormulaC28H26FN5O
Molecular Weight467.55 g/mol
Exact Mass467.21
IUPAC Name1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone
SMILESCc1nc2cnccc2n1C1CCN(CC(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1
InChIInChI=1S/C28H26FN5O/c1-18-32-26-16-30-11-8-27(26)34(18)22-9-12-33(13-10-22)17-28(35)24-15-31-25-14-20(4-7-23(24)25)19-2-5-21(29)6-3-19/h2-8,11,14-16,22,31H,9-10,12-13,17H2,1H3
InChIKeyYFTPNLKOGXJVQG-UHFFFAOYSA-N
XLogP5.55
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone (CID 23374516) is 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone is Cc1nc2cnccc2n1C1CCN(CC(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is YFTPNLKOGXJVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O/c1-18-32-26-16-30-11-8-27(26)34(18)22-9-12-33(13-10-22)17-28(35)24-15-31-25-14-20(4-7-23(24)25)19-2-5-21(29)6-3-19/h2-8,11,14-16,22,31H,9-10,12-13,17H2,1H3.
What are the key properties of 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone?
1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 467.55 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-1H-indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 23374516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).