5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile

C28H25FN6O — CID 134347717

IUPAC5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
SMILESCc1c(CN2CCC(n3c(=O)n(-c4ccc(F)cc4)c4cnccc43)CC2)ccc2[nH]c(C#N)cc12
InChIInChI=1S/C28H25FN6O/c1-18-19(2-7-25-24(18)14-21(15-30)32-25)17-33-12-9-23(10-13-33)34-26-8-11-31-16-27(26)35(28(34)36)22-5-3-20(29)4-6-22/h2-8,11,14,16,23,32H,9-10,12-13,17H2,1H3
InChIKeyIOEZYVRGJIYSHS-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.82
Rot. Bonds4

About 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile

5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile (PubChem CID 134347717) has the molecular formula C28H25FN6O and a molecular weight of 480.55 g/mol. Its IUPAC name is 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
PubChem CID134347717
Molecular FormulaC28H25FN6O
Molecular Weight480.55 g/mol
Exact Mass480.21
IUPAC Name5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
SMILESCc1c(CN2CCC(n3c(=O)n(-c4ccc(F)cc4)c4cnccc43)CC2)ccc2[nH]c(C#N)cc12
InChIInChI=1S/C28H25FN6O/c1-18-19(2-7-25-24(18)14-21(15-30)32-25)17-33-12-9-23(10-13-33)34-26-8-11-31-16-27(26)35(28(34)36)22-5-3-20(29)4-6-22/h2-8,11,14,16,23,32H,9-10,12-13,17H2,1H3
InChIKeyIOEZYVRGJIYSHS-UHFFFAOYSA-N
XLogP4.82
TPSA82.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile?
The IUPAC name of 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile (CID 134347717) is 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile.
What is the SMILES notation for 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile?
The canonical SMILES for 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile is Cc1c(CN2CCC(n3c(=O)n(-c4ccc(F)cc4)c4cnccc43)CC2)ccc2[nH]c(C#N)cc12.
What is the InChIKey of 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile?
The InChIKey is IOEZYVRGJIYSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O/c1-18-19(2-7-25-24(18)14-21(15-30)32-25)17-33-12-9-23(10-13-33)34-26-8-11-31-16-27(26)35(28(34)36)22-5-3-20(29)4-6-22/h2-8,11,14,16,23,32H,9-10,12-13,17H2,1H3.
What are the key properties of 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile?
5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile has a molecular weight of 480.55 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile is sourced from PubChem (CID 134347717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).