2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide

C29H26F2N6O2 — CID 118463474

IUPAC2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
SMILESCC(C)Oc1cc(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)c(F)cn1
InChIInChI=1S/C29H26F2N6O2/c1-17(2)39-26-15-21(22(31)16-35-26)28-27(18-5-8-20(30)9-6-18)36-23-10-7-19(14-24(23)37-28)29(38)34-11-3-4-25-32-12-13-33-25/h5-10,12-17H,3-4,11H2,1-2H3,(H,32,33)(H,34,38)
InChIKeyYIPCIPBBLRHJNS-UHFFFAOYSA-N
MW528.56 g/mol
LogP5.51
Rot. Bonds9

About 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide

2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide (PubChem CID 118463474) has the molecular formula C29H26F2N6O2 and a molecular weight of 528.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
PubChem CID118463474
Molecular FormulaC29H26F2N6O2
Molecular Weight528.56 g/mol
Exact Mass528.21
IUPAC Name2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
SMILESCC(C)Oc1cc(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)c(F)cn1
InChIInChI=1S/C29H26F2N6O2/c1-17(2)39-26-15-21(22(31)16-35-26)28-27(18-5-8-20(30)9-6-18)36-23-10-7-19(14-24(23)37-28)29(38)34-11-3-4-25-32-12-13-33-25/h5-10,12-17H,3-4,11H2,1-2H3,(H,32,33)(H,34,38)
InChIKeyYIPCIPBBLRHJNS-UHFFFAOYSA-N
XLogP5.51
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide (CID 118463474) is 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide is CC(C)Oc1cc(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)c(F)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
The InChIKey is YIPCIPBBLRHJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N6O2/c1-17(2)39-26-15-21(22(31)16-35-26)28-27(18-5-8-20(30)9-6-18)36-23-10-7-19(14-24(23)37-28)29(38)34-11-3-4-25-32-12-13-33-25/h5-10,12-17H,3-4,11H2,1-2H3,(H,32,33)(H,34,38).
What are the key properties of 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide has a molecular weight of 528.56 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 118463474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).