[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone

C22H24FN7O2 — CID 66748272

IUPAC[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3cc(OC4CCC4)ncn3)CC2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C22H24FN7O2/c1-15-21(26-27-30(15)17-7-5-16(23)6-8-17)22(31)29-11-9-28(10-12-29)19-13-20(25-14-24-19)32-18-3-2-4-18/h5-8,13-14,18H,2-4,9-12H2,1H3
InChIKeyUIKQQEAYVLWHIM-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.40
Rot. Bonds5

About [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone

[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone (PubChem CID 66748272) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone
PubChem CID66748272
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3cc(OC4CCC4)ncn3)CC2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C22H24FN7O2/c1-15-21(26-27-30(15)17-7-5-16(23)6-8-17)22(31)29-11-9-28(10-12-29)19-13-20(25-14-24-19)32-18-3-2-4-18/h5-8,13-14,18H,2-4,9-12H2,1H3
InChIKeyUIKQQEAYVLWHIM-UHFFFAOYSA-N
XLogP2.40
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone?
The IUPAC name of [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone (CID 66748272) is [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone.
What is the SMILES notation for [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone?
The canonical SMILES for [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone is Cc1c(C(=O)N2CCN(c3cc(OC4CCC4)ncn3)CC2)nnn1-c1ccc(F)cc1.
What is the InChIKey of [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone?
The InChIKey is UIKQQEAYVLWHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-15-21(26-27-30(15)17-7-5-16(23)6-8-17)22(31)29-11-9-28(10-12-29)19-13-20(25-14-24-19)32-18-3-2-4-18/h5-8,13-14,18H,2-4,9-12H2,1H3.
What are the key properties of [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone?
[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone has a molecular weight of 437.48 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone is sourced from PubChem (CID 66748272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).