N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

C24H19F3N4O3 — CID 154685937

IUPACN-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COCC3F)o2)c(F)cn1
InChIInChI=1S/C24H19F3N4O3/c1-13-8-18(16(26)9-28-13)30-24(32)21-7-6-20(34-21)23-22(14-2-4-15(25)5-3-14)29-12-31(23)19-11-33-10-17(19)27/h2-9,12,17,19H,10-11H2,1H3,(H,28,30,32)
InChIKeyUADCTKCTCBTSLU-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.95
Rot. Bonds5

About N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685937) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685937
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC NameN-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COCC3F)o2)c(F)cn1
InChIInChI=1S/C24H19F3N4O3/c1-13-8-18(16(26)9-28-13)30-24(32)21-7-6-20(34-21)23-22(14-2-4-15(25)5-3-14)29-12-31(23)19-11-33-10-17(19)27/h2-9,12,17,19H,10-11H2,1H3,(H,28,30,32)
InChIKeyUADCTKCTCBTSLU-UHFFFAOYSA-N
XLogP4.95
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 154685937) is N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COCC3F)o2)c(F)cn1.
What is the InChIKey of N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is UADCTKCTCBTSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-13-8-18(16(26)9-28-13)30-24(32)21-7-6-20(34-21)23-22(14-2-4-15(25)5-3-14)29-12-31(23)19-11-33-10-17(19)27/h2-9,12,17,19H,10-11H2,1H3,(H,28,30,32).
What are the key properties of N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methyl-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).