4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile

C23H16F2N4O2 — CID 58402513

IUPAC4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile
SMILESCc1cccc2nc(-c3c(F)cc(C#N)cc3F)c(Nc3ccc4c(c3)OCCO4)n12
InChIInChI=1S/C23H16F2N4O2/c1-13-3-2-4-20-28-22(21-16(24)9-14(12-26)10-17(21)25)23(29(13)20)27-15-5-6-18-19(11-15)31-8-7-30-18/h2-6,9-11,27H,7-8H2,1H3
InChIKeyLSGWECLSEZCSJM-UHFFFAOYSA-N
MW418.40 g/mol
LogP4.97
Rot. Bonds3

About 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile

4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile (PubChem CID 58402513) has the molecular formula C23H16F2N4O2 and a molecular weight of 418.40 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile
PubChem CID58402513
Molecular FormulaC23H16F2N4O2
Molecular Weight418.40 g/mol
Exact Mass418.12
IUPAC Name4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile
SMILESCc1cccc2nc(-c3c(F)cc(C#N)cc3F)c(Nc3ccc4c(c3)OCCO4)n12
InChIInChI=1S/C23H16F2N4O2/c1-13-3-2-4-20-28-22(21-16(24)9-14(12-26)10-17(21)25)23(29(13)20)27-15-5-6-18-19(11-15)31-8-7-30-18/h2-6,9-11,27H,7-8H2,1H3
InChIKeyLSGWECLSEZCSJM-UHFFFAOYSA-N
XLogP4.97
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 25117011
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine;2-(3,5-difluoro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 159689574
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine
CID 58402642
2-(3,5-difluoro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propoxyimidazo[1,2-a]pyridin-3-amine
CID 58402509
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine
CID 58402590
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine
CID 58402529
2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
CID 15990318
4-(1,3-benzodioxol-5-ylamino)-3,5-difluorobenzonitrile
CID 81283181
2-(2-fluoro-5-methylphenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59579086
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 25115179
2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59578866
2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol
CID 157411869

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile?
The IUPAC name of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile (CID 58402513) is 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile?
The canonical SMILES for 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile is Cc1cccc2nc(-c3c(F)cc(C#N)cc3F)c(Nc3ccc4c(c3)OCCO4)n12.
What is the InChIKey of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile?
The InChIKey is LSGWECLSEZCSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O2/c1-13-3-2-4-20-28-22(21-16(24)9-14(12-26)10-17(21)25)23(29(13)20)27-15-5-6-18-19(11-15)31-8-7-30-18/h2-6,9-11,27H,7-8H2,1H3.
What are the key properties of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile?
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile has a molecular weight of 418.40 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile is sourced from PubChem (CID 58402513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).