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

C21H22FN3O2 — CID 122573892

IUPAC(2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone
SMILESCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNCC3(C)C)oc12
InChIInChI=1S/C21H22FN3O2/c1-13-10-16(14-4-6-15(22)7-5-14)24-17-11-18(27-19(13)17)20(26)25-9-8-23-12-21(25,2)3/h4-7,10-11,23H,8-9,12H2,1-3H3
InChIKeyVVLVEQHIJIEJJU-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.77
Rot. Bonds2

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

(2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone (PubChem CID 122573892) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone
PubChem CID122573892
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone
SMILESCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNCC3(C)C)oc12
InChIInChI=1S/C21H22FN3O2/c1-13-10-16(14-4-6-15(22)7-5-14)24-17-11-18(27-19(13)17)20(26)25-9-8-23-12-21(25,2)3/h4-7,10-11,23H,8-9,12H2,1-3H3
InChIKeyVVLVEQHIJIEJJU-UHFFFAOYSA-N
XLogP3.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone (CID 122573892) is (2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone is Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNCC3(C)C)oc12.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone?
The InChIKey is VVLVEQHIJIEJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13-10-16(14-4-6-15(22)7-5-14)24-17-11-18(27-19(13)17)20(26)25-9-8-23-12-21(25,2)3/h4-7,10-11,23H,8-9,12H2,1-3H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone?
(2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone has a molecular weight of 367.42 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-methylfuro[3,2-b]pyridin-2-yl]methanone is sourced from PubChem (CID 122573892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).