[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate

C23H21FN4O2 — CID 24854884

IUPAC[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2COC(N)=O)nc2ccc(F)cn12
InChIInChI=1S/C23H21FN4O2/c1-14-6-5-7-15(2)20(14)27-22-21(26-19-11-10-17(24)12-28(19)22)18-9-4-3-8-16(18)13-30-23(25)29/h3-12,27H,13H2,1-2H3,(H2,25,29)
InChIKeyYUILEJGKCXMWCD-UHFFFAOYSA-N
MW404.45 g/mol
LogP5.10
Rot. Bonds5

About [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate

[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate (PubChem CID 24854884) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate.

Molecular Properties

Compound Name[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate
PubChem CID24854884
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2COC(N)=O)nc2ccc(F)cn12
InChIInChI=1S/C23H21FN4O2/c1-14-6-5-7-15(2)20(14)27-22-21(26-19-11-10-17(24)12-28(19)22)18-9-4-3-8-16(18)13-30-23(25)29/h3-12,27H,13H2,1-2H3,(H2,25,29)
InChIKeyYUILEJGKCXMWCD-UHFFFAOYSA-N
XLogP5.10
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate?
The IUPAC name of [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate (CID 24854884) is [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate.
What is the SMILES notation for [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate?
The canonical SMILES for [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate is Cc1cccc(C)c1Nc1c(-c2ccccc2COC(N)=O)nc2ccc(F)cn12.
What is the InChIKey of [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate?
The InChIKey is YUILEJGKCXMWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-6-5-7-15(2)20(14)27-22-21(26-19-11-10-17(24)12-28(19)22)18-9-4-3-8-16(18)13-30-23(25)29/h3-12,27H,13H2,1-2H3,(H2,25,29).
What are the key properties of [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate?
[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate has a molecular weight of 404.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl carbamate is sourced from PubChem (CID 24854884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).