5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide

C24H20F2N4O3 — CID 155069019

IUPAC5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2[C@@H]2CC[C@H](O)C2)o1
InChIInChI=1S/C24H20F2N4O3/c25-15-3-1-14(2-4-15)22-23(30(13-28-22)16-5-6-17(31)11-16)20-7-8-21(33-20)24(32)29-19-9-10-27-12-18(19)26/h1-4,7-10,12-13,16-17,31H,5-6,11H2,(H,27,29,32)/t16-,17+/m1/s1
InChIKeyJHZZTEODBVPOGC-SJORKVTESA-N
MW450.45 g/mol
LogP4.82
Rot. Bonds5

About 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide

5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (PubChem CID 155069019) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
PubChem CID155069019
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2[C@@H]2CC[C@H](O)C2)o1
InChIInChI=1S/C24H20F2N4O3/c25-15-3-1-14(2-4-15)22-23(30(13-28-22)16-5-6-17(31)11-16)20-7-8-21(33-20)24(32)29-19-9-10-27-12-18(19)26/h1-4,7-10,12-13,16-17,31H,5-6,11H2,(H,27,29,32)/t16-,17+/m1/s1
InChIKeyJHZZTEODBVPOGC-SJORKVTESA-N
XLogP4.82
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (CID 155069019) is 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is O=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2[C@@H]2CC[C@H](O)C2)o1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The InChIKey is JHZZTEODBVPOGC-SJORKVTESA-N. The full InChI is InChI=1S/C24H20F2N4O3/c25-15-3-1-14(2-4-15)22-23(30(13-28-22)16-5-6-17(31)11-16)20-7-8-21(33-20)24(32)29-19-9-10-27-12-18(19)26/h1-4,7-10,12-13,16-17,31H,5-6,11H2,(H,27,29,32)/t16-,17+/m1/s1.
What are the key properties of 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-[(1R,3S)-3-hydroxycyclopentyl]imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 155069019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).