(5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C20H18F3N3O2 — CID 16906920

IUPAC(5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2n1
InChIInChI=1S/C20H18F3N3O2/c1-13-5-6-17-16(24-13)12-18(28-17)19(27)26-9-7-25(8-10-26)15-4-2-3-14(11-15)20(21,22)23/h2-6,11-12H,7-10H2,1H3
InChIKeyVRPZQIKIJIGHHB-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.12
Rot. Bonds2

About (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 16906920) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID16906920
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name(5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2n1
InChIInChI=1S/C20H18F3N3O2/c1-13-5-6-17-16(24-13)12-18(28-17)19(27)26-9-7-25(8-10-26)15-4-2-3-14(11-15)20(21,22)23/h2-6,11-12H,7-10H2,1H3
InChIKeyVRPZQIKIJIGHHB-UHFFFAOYSA-N
XLogP4.12
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 49848635
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
N-[2-(5-methoxy-2-phenylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042142
N-[2-[2-(4-fluorophenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
CID 127042442
2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide
CID 24790508
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
[4-(2-Fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 71511412
[2-Ethyl-4-(2-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 71511413
[4-(4-Fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 71511414
[2-Ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 71511415
7-(4-(2-(3-Methoxy-2-pyridyl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide
CID 59636722
Azetidin-1-yl(7-(4-(2-(6-methoxypyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-yl)methanone
CID 59636730

Frequently Asked Questions

What is the IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 16906920) is (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cc1ccc2oc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2n1.
What is the InChIKey of (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is VRPZQIKIJIGHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-13-5-6-17-16(24-13)12-18(28-17)19(27)26-9-7-25(8-10-26)15-4-2-3-14(11-15)20(21,22)23/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 389.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuro[3,2-b]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 16906920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).