N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C23H24FN5O2S — CID 55866636

IUPACN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(CSc2nccn2C)o1
InChIInChI=1S/C23H24FN5O2S/c1-28(12-3-4-18-14-20(27-26-18)16-5-7-17(24)8-6-16)22(30)21-10-9-19(31-21)15-32-23-25-11-13-29(23)2/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,26,27)
InChIKeyDOFZPTGQSVCIIR-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.54
Rot. Bonds9

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 55866636) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID55866636
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(CSc2nccn2C)o1
InChIInChI=1S/C23H24FN5O2S/c1-28(12-3-4-18-14-20(27-26-18)16-5-7-17(24)8-6-16)22(30)21-10-9-19(31-21)15-32-23-25-11-13-29(23)2/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,26,27)
InChIKeyDOFZPTGQSVCIIR-UHFFFAOYSA-N
XLogP4.54
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 55866636) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(CSc2nccn2C)o1.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is DOFZPTGQSVCIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-28(12-3-4-18-14-20(27-26-18)16-5-7-17(24)8-6-16)22(30)21-10-9-19(31-21)15-32-23-25-11-13-29(23)2/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,26,27).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 55866636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).