4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine

C20H21FN4OS — CID 44593521

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NC3CCOCC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H21FN4OS/c1-27-20-24-18(13-2-4-15(21)5-3-13)19(25-20)14-6-9-22-17(12-14)23-16-7-10-26-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyPPSHLZKKNUFIFL-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.59
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 44593521) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine
PubChem CID44593521
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(NC3CCOCC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H21FN4OS/c1-27-20-24-18(13-2-4-15(21)5-3-13)19(25-20)14-6-9-22-17(12-14)23-16-7-10-26-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyPPSHLZKKNUFIFL-UHFFFAOYSA-N
XLogP4.59
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine with MolForge

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Related Compounds

SB-242235
CID 9863367
Arpromidine
CID 65895
Cbs-3595
CID 11639342
{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-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridine
CID 9795838
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
N-[3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
CID 137637707
2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 137637913
N-[3-[[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]amino]-5-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 137638797
N-[2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]prop-2-enamide
CID 137639513

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine (CID 44593521) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine is CSc1nc(-c2ccnc(NC3CCOCC3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is PPSHLZKKNUFIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-27-20-24-18(13-2-4-15(21)5-3-13)19(25-20)14-6-9-22-17(12-14)23-16-7-10-26-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 384.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 44593521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).