5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide

C25H22ClFN4O2 — CID 154685931

IUPAC5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(Cl)cc3)ncn2CC2CCCC2)o1
InChIInChI=1S/C25H22ClFN4O2/c26-18-7-5-17(6-8-18)23-24(31(15-29-23)14-16-3-1-2-4-16)21-9-10-22(33-21)25(32)30-20-11-12-28-13-19(20)27/h5-13,15-16H,1-4,14H2,(H,28,30,32)
InChIKeyMVWFXRUOYPZRGV-UHFFFAOYSA-N
MW464.93 g/mol
LogP6.44
Rot. Bonds6

About 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide

5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (PubChem CID 154685931) has the molecular formula C25H22ClFN4O2 and a molecular weight of 464.93 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
PubChem CID154685931
Molecular FormulaC25H22ClFN4O2
Molecular Weight464.93 g/mol
Exact Mass464.14
IUPAC Name5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(Cl)cc3)ncn2CC2CCCC2)o1
InChIInChI=1S/C25H22ClFN4O2/c26-18-7-5-17(6-8-18)23-24(31(15-29-23)14-16-3-1-2-4-16)21-9-10-22(33-21)25(32)30-20-11-12-28-13-19(20)27/h5-13,15-16H,1-4,14H2,(H,28,30,32)
InChIKeyMVWFXRUOYPZRGV-UHFFFAOYSA-N
XLogP6.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.93
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (CID 154685931) is 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is O=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(Cl)cc3)ncn2CC2CCCC2)o1.
What is the InChIKey of 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The InChIKey is MVWFXRUOYPZRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O2/c26-18-7-5-17(6-8-18)23-24(31(15-29-23)14-16-3-1-2-4-16)21-9-10-22(33-21)25(32)30-20-11-12-28-13-19(20)27/h5-13,15-16H,1-4,14H2,(H,28,30,32).
What are the key properties of 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide has a molecular weight of 464.93 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 154685931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).