[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone

C24H33F2N3O2 — CID 122573913

IUPAC[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCNCC3(C)C)oc12
InChIInChI=1S/C24H33F2N3O2/c1-22(2,3)16-12-17(15-6-8-24(25,26)9-7-15)28-18-13-19(31-20(16)18)21(30)29-11-10-27-14-23(29,4)5/h12-13,15,27H,6-11,14H2,1-5H3
InChIKeyULIDSSXJIRAMMV-UHFFFAOYSA-N
MW433.54 g/mol
LogP5.24
Rot. Bonds2

About [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone

[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 122573913) has the molecular formula C24H33F2N3O2 and a molecular weight of 433.54 g/mol. Its IUPAC name is [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID122573913
Molecular FormulaC24H33F2N3O2
Molecular Weight433.54 g/mol
Exact Mass433.25
IUPAC Name[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCNCC3(C)C)oc12
InChIInChI=1S/C24H33F2N3O2/c1-22(2,3)16-12-17(15-6-8-24(25,26)9-7-15)28-18-13-19(31-20(16)18)21(30)29-11-10-27-14-23(29,4)5/h12-13,15,27H,6-11,14H2,1-5H3
InChIKeyULIDSSXJIRAMMV-UHFFFAOYSA-N
XLogP5.24
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (CID 122573913) is [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone is CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCNCC3(C)C)oc12.
What is the InChIKey of [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is ULIDSSXJIRAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O2/c1-22(2,3)16-12-17(15-6-8-24(25,26)9-7-15)28-18-13-19(31-20(16)18)21(30)29-11-10-27-14-23(29,4)5/h12-13,15,27H,6-11,14H2,1-5H3.
What are the key properties of [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 433.54 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 122573913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).