4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine

C23H27FN4O2S — CID 44568222

IUPAC4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCOCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCOCC2)c1
InChIInChI=1S/C23H27FN4O2S/c1-29-14-11-28-22(21(27-23(28)31-2)16-3-5-18(24)6-4-16)17-7-10-25-20(15-17)26-19-8-12-30-13-9-19/h3-7,10,15,19H,8-9,11-14H2,1-2H3,(H,25,26)
InChIKeyVNBMSIFWXYVAOE-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.71
Rot. Bonds8

About 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine

4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 44568222) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine
PubChem CID44568222
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC Name4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCOCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCOCC2)c1
InChIInChI=1S/C23H27FN4O2S/c1-29-14-11-28-22(21(27-23(28)31-2)16-3-5-18(24)6-4-16)17-7-10-25-20(15-17)26-19-8-12-30-13-9-19/h3-7,10,15,19H,8-9,11-14H2,1-2H3,(H,25,26)
InChIKeyVNBMSIFWXYVAOE-UHFFFAOYSA-N
XLogP4.71
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine with MolForge

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Related Compounds

VK-19911
CID 9797240
SB-242235
CID 9863367
{4-[5-(4-Fluoro-phenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine
CID 10862355
ML-3403
CID 6419739
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
Cbs-3595
CID 11639342
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
2-{4-[4-(4-Fluoro-phenyl)-3-(2-methoxy-ethyl)-2-methylsulfanyl-1H-imidazol-5-yl]-pyridin-2-ylamino}-propan-1-ol
CID 24905909
4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 134693850

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine (CID 44568222) is 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine is COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCOCC2)c1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is VNBMSIFWXYVAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-29-14-11-28-22(21(27-23(28)31-2)16-3-5-18(24)6-4-16)17-7-10-25-20(15-17)26-19-8-12-30-13-9-19/h3-7,10,15,19H,8-9,11-14H2,1-2H3,(H,25,26).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 442.56 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 44568222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).