5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide

C25H23FN4O4 — CID 154685917

IUPAC5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide
SMILESCOc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1
InChIInChI=1S/C25H23FN4O4/c1-32-22-12-27-10-8-19(22)29-25(31)21-7-6-20(34-21)24-23(17-2-4-18(26)5-3-17)28-15-30(24)13-16-9-11-33-14-16/h2-8,10,12,15-16H,9,11,13-14H2,1H3,(H,27,29,31)
InChIKeyIORLJCFZTVIEHA-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.64
Rot. Bonds7

About 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide

5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide (PubChem CID 154685917) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide
PubChem CID154685917
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC Name5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide
SMILESCOc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1
InChIInChI=1S/C25H23FN4O4/c1-32-22-12-27-10-8-19(22)29-25(31)21-7-6-20(34-21)24-23(17-2-4-18(26)5-3-17)28-15-30(24)13-16-9-11-33-14-16/h2-8,10,12,15-16H,9,11,13-14H2,1H3,(H,27,29,31)
InChIKeyIORLJCFZTVIEHA-UHFFFAOYSA-N
XLogP4.64
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide (CID 154685917) is 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide is COc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
The InChIKey is IORLJCFZTVIEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-32-22-12-27-10-8-19(22)29-25(31)21-7-6-20(34-21)24-23(17-2-4-18(26)5-3-17)28-15-30(24)13-16-9-11-33-14-16/h2-8,10,12,15-16H,9,11,13-14H2,1H3,(H,27,29,31).
What are the key properties of 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 154685917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).