4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid

C24H24FN3O4 — CID 122574055

IUPAC4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CC3)c2o1
InChIInChI=1S/C24H24FN3O4/c1-24(2)13-27(23(30)31)9-10-28(24)22(29)20-12-19-21(32-20)17(14-3-4-14)11-18(26-19)15-5-7-16(25)8-6-15/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,30,31)
InChIKeyBMACDLVWTVENPD-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.73
Rot. Bonds3

About 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid

4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid (PubChem CID 122574055) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
PubChem CID122574055
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CC3)c2o1
InChIInChI=1S/C24H24FN3O4/c1-24(2)13-27(23(30)31)9-10-28(24)22(29)20-12-19-21(32-20)17(14-3-4-14)11-18(26-19)15-5-7-16(25)8-6-15/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,30,31)
InChIKeyBMACDLVWTVENPD-UHFFFAOYSA-N
XLogP4.73
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid (CID 122574055) is 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid is CC1(C)CN(C(=O)O)CCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CC3)c2o1.
What is the InChIKey of 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid?
The InChIKey is BMACDLVWTVENPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-24(2)13-27(23(30)31)9-10-28(24)22(29)20-12-19-21(32-20)17(14-3-4-14)11-18(26-19)15-5-7-16(25)8-6-15/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,30,31).
What are the key properties of 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid?
4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid has a molecular weight of 437.47 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 122574055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).