[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone

C23H24FN3O2 — CID 122573852

IUPAC[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CC3)c2o1
InChIInChI=1S/C23H24FN3O2/c1-23(2)13-25-9-10-27(23)22(28)20-12-19-21(29-20)17(14-3-4-14)11-18(26-19)15-5-7-16(24)8-6-15/h5-8,11-12,14,25H,3-4,9-10,13H2,1-2H3
InChIKeyRVPVYJJHIBKDID-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.34
Rot. Bonds3

About [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone

[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 122573852) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID122573852
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CC3)c2o1
InChIInChI=1S/C23H24FN3O2/c1-23(2)13-25-9-10-27(23)22(28)20-12-19-21(29-20)17(14-3-4-14)11-18(26-19)15-5-7-16(24)8-6-15/h5-8,11-12,14,25H,3-4,9-10,13H2,1-2H3
InChIKeyRVPVYJJHIBKDID-UHFFFAOYSA-N
XLogP4.34
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (CID 122573852) is [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CC3)c2o1.
What is the InChIKey of [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is RVPVYJJHIBKDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-23(2)13-25-9-10-27(23)22(28)20-12-19-21(29-20)17(14-3-4-14)11-18(26-19)15-5-7-16(24)8-6-15/h5-8,11-12,14,25H,3-4,9-10,13H2,1-2H3.
What are the key properties of [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 393.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 122573852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).