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

C20H19ClFN3O2 — CID 122573881

IUPAC[7-chloro-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(Cl)c2o1
InChIInChI=1S/C20H19ClFN3O2/c1-20(2)11-23-7-8-25(20)19(26)17-10-16-18(27-17)14(21)9-15(24-16)12-3-5-13(22)6-4-12/h3-6,9-10,23H,7-8,11H2,1-2H3
InChIKeyPAXIDJIZQCNNLB-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.11
Rot. Bonds2

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

[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 122573881) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is [7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID122573881
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name[7-chloro-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(Cl)c2o1
InChIInChI=1S/C20H19ClFN3O2/c1-20(2)11-23-7-8-25(20)19(26)17-10-16-18(27-17)14(21)9-15(24-16)12-3-5-13(22)6-4-12/h3-6,9-10,23H,7-8,11H2,1-2H3
InChIKeyPAXIDJIZQCNNLB-UHFFFAOYSA-N
XLogP4.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (CID 122573881) is [7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [7-chloro-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(Cl)c2o1.
What is the InChIKey of [7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is PAXIDJIZQCNNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-20(2)11-23-7-8-25(20)19(26)17-10-16-18(27-17)14(21)9-15(24-16)12-3-5-13(22)6-4-12/h3-6,9-10,23H,7-8,11H2,1-2H3.
What are the key properties of [7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 387.84 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 122573881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).