N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide

C27H23FN4O4 — CID 55919017

IUPACN-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(NCC(=O)N2N=C(c3ccco3)CC2c2ccco2)ccc1F
InChIInChI=1S/C27H23FN4O4/c28-20-11-10-19(15-21(20)30-26(33)14-18-6-2-1-3-7-18)29-17-27(34)32-23(25-9-5-13-36-25)16-22(31-32)24-8-4-12-35-24/h1-13,15,23,29H,14,16-17H2,(H,30,33)
InChIKeyZUMQOCJTBGRTIJ-UHFFFAOYSA-N
MW486.50 g/mol
LogP4.98
Rot. Bonds8

About N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide

N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide (PubChem CID 55919017) has the molecular formula C27H23FN4O4 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide
PubChem CID55919017
Molecular FormulaC27H23FN4O4
Molecular Weight486.50 g/mol
Exact Mass486.17
IUPAC NameN-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(NCC(=O)N2N=C(c3ccco3)CC2c2ccco2)ccc1F
InChIInChI=1S/C27H23FN4O4/c28-20-11-10-19(15-21(20)30-26(33)14-18-6-2-1-3-7-18)29-17-27(34)32-23(25-9-5-13-36-25)16-22(31-32)24-8-4-12-35-24/h1-13,15,23,29H,14,16-17H2,(H,30,33)
InChIKeyZUMQOCJTBGRTIJ-UHFFFAOYSA-N
XLogP4.98
TPSA100.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone
CID 35811357
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone
CID 78792990
2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 51252650
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900
N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide
CID 55897315
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone
CID 60537045
3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide
CID 60537168
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone
CID 60536920
N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55893349
[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3,4-difluorobenzoate
CID 55375837
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methyl-3-nitroanilino)ethanone
CID 51183167

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide?
The IUPAC name of N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide (CID 55919017) is N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cc(NCC(=O)N2N=C(c3ccco3)CC2c2ccco2)ccc1F.
What is the InChIKey of N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide?
The InChIKey is ZUMQOCJTBGRTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O4/c28-20-11-10-19(15-21(20)30-26(33)14-18-6-2-1-3-7-18)29-17-27(34)32-23(25-9-5-13-36-25)16-22(31-32)24-8-4-12-35-24/h1-13,15,23,29H,14,16-17H2,(H,30,33).
What are the key properties of N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide?
N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide has a molecular weight of 486.50 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide is sourced from PubChem (CID 55919017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).