4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one

C24H26FN3O3 — CID 122573895

IUPAC4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12
InChIInChI=1S/C24H26FN3O3/c1-5-14(2)17-12-18(15-6-8-16(25)9-7-15)27-19-13-20(31-21(17)19)22(29)28-11-10-26-23(30)24(28,3)4/h6-9,12-14H,5,10-11H2,1-4H3,(H,26,30)
InChIKeyUFVHWIOALRFSCL-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.50
Rot. Bonds4

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

4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 122573895) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID122573895
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12
InChIInChI=1S/C24H26FN3O3/c1-5-14(2)17-12-18(15-6-8-16(25)9-7-15)27-19-13-20(31-21(17)19)22(29)28-11-10-26-23(30)24(28,3)4/h6-9,12-14H,5,10-11H2,1-4H3,(H,26,30)
InChIKeyUFVHWIOALRFSCL-UHFFFAOYSA-N
XLogP4.50
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (CID 122573895) is 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is CCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.
What is the InChIKey of 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is UFVHWIOALRFSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-5-14(2)17-12-18(15-6-8-16(25)9-7-15)27-19-13-20(31-21(17)19)22(29)28-11-10-26-23(30)24(28,3)4/h6-9,12-14H,5,10-11H2,1-4H3,(H,26,30).
What are the key properties of 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 423.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 122573895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).