5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide

C22H16F3N5O3 — CID 155069018

IUPAC5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1ccncn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2(F)F)o1
InChIInChI=1S/C22H16F3N5O3/c23-14-3-1-13(2-4-14)19-20(30(12-28-19)17-9-32-10-22(17,24)25)15-5-6-16(33-15)21(31)29-18-7-8-26-11-27-18/h1-8,11-12,17H,9-10H2,(H,26,27,29,31)
InChIKeyXBTZKVHEBBNOCK-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.20
Rot. Bonds5

About 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide

5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide (PubChem CID 155069018) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
PubChem CID155069018
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC Name5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1ccncn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2(F)F)o1
InChIInChI=1S/C22H16F3N5O3/c23-14-3-1-13(2-4-14)19-20(30(12-28-19)17-9-32-10-22(17,24)25)15-5-6-16(33-15)21(31)29-18-7-8-26-11-27-18/h1-8,11-12,17H,9-10H2,(H,26,27,29,31)
InChIKeyXBTZKVHEBBNOCK-UHFFFAOYSA-N
XLogP4.20
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrimidine-4-carboxamide, 121
CID 44520985
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide
CID 11739527
4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]benzamide
CID 16070216
n-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]propanamide
CID 16072020
n-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclobutanecarboxamide
CID 16072022
n-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]-2-methylpropanamide
CID 16072023
2-Cyclopentyl-n-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]acetamide
CID 16072024
(S)-N-(3-(5-(2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethylcarbamoyl)furan-2-yl)benzyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 46207232
n-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopentanecarboxamide
CID 53318744
2-(5-methylfuran-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 4580669
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16329874
3,5-Difluoro-4-(4-furan-2-yl-5-pyridin-4-yl-1H-imidazol-2-yl)-pyridine-2,6-diamine
CID 44306734

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide (CID 155069018) is 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide is O=C(Nc1ccncn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2(F)F)o1.
What is the InChIKey of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
The InChIKey is XBTZKVHEBBNOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c23-14-3-1-13(2-4-14)19-20(30(12-28-19)17-9-32-10-22(17,24)25)15-5-6-16(33-15)21(31)29-18-7-8-26-11-27-18/h1-8,11-12,17H,9-10H2,(H,26,27,29,31).
What are the key properties of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide has a molecular weight of 455.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 155069018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).