3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

C20H20FN7O2 — CID 67255765

IUPAC3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCOc1cc(NC2CCCN(C(=O)CC#N)C2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C20H20FN7O2/c1-30-18-9-16(24-14-3-2-8-27(12-14)19(29)6-7-22)25-20(26-18)15-10-23-17-5-4-13(21)11-28(15)17/h4-5,9-11,14H,2-3,6,8,12H2,1H3,(H,24,25,26)
InChIKeyCHHTWGGVAZLDBV-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.26
Rot. Bonds5

About 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 67255765) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
PubChem CID67255765
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCOc1cc(NC2CCCN(C(=O)CC#N)C2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C20H20FN7O2/c1-30-18-9-16(24-14-3-2-8-27(12-14)19(29)6-7-22)25-20(26-18)15-10-23-17-5-4-13(21)11-28(15)17/h4-5,9-11,14H,2-3,6,8,12H2,1H3,(H,24,25,26)
InChIKeyCHHTWGGVAZLDBV-UHFFFAOYSA-N
XLogP2.26
TPSA108.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 67255765) is 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is COc1cc(NC2CCCN(C(=O)CC#N)C2)nc(-c2cnc3ccc(F)cn23)n1.
What is the InChIKey of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is CHHTWGGVAZLDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-30-18-9-16(24-14-3-2-8-27(12-14)19(29)6-7-22)25-20(26-18)15-10-23-17-5-4-13(21)11-28(15)17/h4-5,9-11,14H,2-3,6,8,12H2,1H3,(H,24,25,26).
What are the key properties of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 409.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 67255765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).