4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one

C25H28FN3O3 — CID 122573910

IUPAC4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O
InChIInChI=1S/C25H28FN3O3/c1-24(2,3)17-13-18(15-7-9-16(26)10-8-15)27-19-14-20(32-21(17)19)22(30)29-12-11-28(6)23(31)25(29,4)5/h7-10,13-14H,11-12H2,1-6H3
InChIKeyBTJSBCSPAXZAMK-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.62
Rot. Bonds2

About 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one

4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one (PubChem CID 122573910) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
PubChem CID122573910
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O
InChIInChI=1S/C25H28FN3O3/c1-24(2,3)17-13-18(15-7-9-16(26)10-8-15)27-19-14-20(32-21(17)19)22(30)29-12-11-28(6)23(31)25(29,4)5/h7-10,13-14H,11-12H2,1-6H3
InChIKeyBTJSBCSPAXZAMK-UHFFFAOYSA-N
XLogP4.62
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one with MolForge

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Related Compounds

1-tert-butyl-4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573970
4-[7-tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573884
4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(trideuteriomethyl)piperazin-2-one
CID 140846185
4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122574187
4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(6-methylpyrazin-2-yl)piperazin-2-one
CID 134296726
1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one
CID 142311055
4-[7-tert-butyl-5-[4-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573933
6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-fluoropyridine-2-carboxylic acid
CID 134296865
4-[7-tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573851
1-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethyl-1,4-diazepan-5-one
CID 134296708
[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 122573881
2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-4-carboxylic acid
CID 134296694

Frequently Asked Questions

What is the IUPAC name of 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one (CID 122573910) is 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one is CN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O.
What is the InChIKey of 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one?
The InChIKey is BTJSBCSPAXZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-24(2,3)17-13-18(15-7-9-16(26)10-8-15)27-19-14-20(32-21(17)19)22(30)29-12-11-28(6)23(31)25(29,4)5/h7-10,13-14H,11-12H2,1-6H3.
What are the key properties of 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one?
4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one has a molecular weight of 437.52 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 122573910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).