N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide

C25H19FN4O2S — CID 52943109

IUPACN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide
SMILESCSc1nc(-c2ccnc(NC(=O)C3=Cc4ccccc4OC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C25H19FN4O2S/c1-33-25-29-22(15-6-8-19(26)9-7-15)23(30-25)17-10-11-27-21(13-17)28-24(31)18-12-16-4-2-3-5-20(16)32-14-18/h2-13H,14H2,1H3,(H,29,30)(H,27,28,31)
InChIKeyQOEIGMKANNGSHB-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.41
Rot. Bonds5

About N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide

N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide (PubChem CID 52943109) has the molecular formula C25H19FN4O2S and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide
PubChem CID52943109
Molecular FormulaC25H19FN4O2S
Molecular Weight458.52 g/mol
Exact Mass458.12
IUPAC NameN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide
SMILESCSc1nc(-c2ccnc(NC(=O)C3=Cc4ccccc4OC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C25H19FN4O2S/c1-33-25-29-22(15-6-8-19(26)9-7-15)23(30-25)17-10-11-27-21(13-17)28-24(31)18-12-16-4-2-3-5-20(16)32-14-18/h2-13H,14H2,1H3,(H,29,30)(H,27,28,31)
InChIKeyQOEIGMKANNGSHB-UHFFFAOYSA-N
XLogP5.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide (CID 52943109) is N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide is CSc1nc(-c2ccnc(NC(=O)C3=Cc4ccccc4OC3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide?
The InChIKey is QOEIGMKANNGSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2S/c1-33-25-29-22(15-6-8-19(26)9-7-15)23(30-25)17-10-11-27-21(13-17)28-24(31)18-12-16-4-2-3-5-20(16)32-14-18/h2-13H,14H2,1H3,(H,29,30)(H,27,28,31).
What are the key properties of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide?
N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 52943109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).