1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

C26H30FN3O4 — CID 122573923

IUPAC1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)oc12
InChIInChI=1S/C26H30FN3O4/c1-6-16-13-19(17-7-9-18(27)10-8-17)28-20-14-21(34-22(16)20)23(31)30-12-11-29(15-25(30,2)3)24(32)26(4,5)33/h7-10,13-14,33H,6,11-12,15H2,1-5H3
InChIKeyXNTMJONZESGTMG-UHFFFAOYSA-N
MW467.54 g/mol
LogP4.03
Rot. Bonds4

About 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 122573923) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID122573923
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)oc12
InChIInChI=1S/C26H30FN3O4/c1-6-16-13-19(17-7-9-18(27)10-8-17)28-20-14-21(34-22(16)20)23(31)30-12-11-29(15-25(30,2)3)24(32)26(4,5)33/h7-10,13-14,33H,6,11-12,15H2,1-5H3
InChIKeyXNTMJONZESGTMG-UHFFFAOYSA-N
XLogP4.03
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one 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 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 122573923) is 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is CCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)oc12.
What is the InChIKey of 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is XNTMJONZESGTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-6-16-13-19(17-7-9-18(27)10-8-17)28-20-14-21(34-22(16)20)23(31)30-12-11-29(15-25(30,2)3)24(32)26(4,5)33/h7-10,13-14,33H,6,11-12,15H2,1-5H3.
What are the key properties of 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 467.54 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-ethyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 122573923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).