3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

C21H19F4N7O2 — CID 67256576

IUPAC3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCOc1nc(-c2cnc3ccc(F)cn23)nc(NC2CCCN(C(=O)CC#N)C2)c1C(F)(F)F
InChIInChI=1S/C21H19F4N7O2/c1-34-20-17(21(23,24)25)19(28-13-3-2-8-31(11-13)16(33)6-7-26)29-18(30-20)14-9-27-15-5-4-12(22)10-32(14)15/h4-5,9-10,13H,2-3,6,8,11H2,1H3,(H,28,29,30)
InChIKeyONHUEEAMVLMGCP-UHFFFAOYSA-N
MW477.42 g/mol
LogP3.27
Rot. Bonds5

About 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 67256576) has the molecular formula C21H19F4N7O2 and a molecular weight of 477.42 g/mol. Its IUPAC name is 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
PubChem CID67256576
Molecular FormulaC21H19F4N7O2
Molecular Weight477.42 g/mol
Exact Mass477.15
IUPAC Name3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCOc1nc(-c2cnc3ccc(F)cn23)nc(NC2CCCN(C(=O)CC#N)C2)c1C(F)(F)F
InChIInChI=1S/C21H19F4N7O2/c1-34-20-17(21(23,24)25)19(28-13-3-2-8-31(11-13)16(33)6-7-26)29-18(30-20)14-9-27-15-5-4-12(22)10-32(14)15/h4-5,9-10,13H,2-3,6,8,11H2,1H3,(H,28,29,30)
InChIKeyONHUEEAMVLMGCP-UHFFFAOYSA-N
XLogP3.27
TPSA108.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile with MolForge

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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-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 67256576) is 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-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-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is COc1nc(-c2cnc3ccc(F)cn23)nc(NC2CCCN(C(=O)CC#N)C2)c1C(F)(F)F.
What is the InChIKey of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is ONHUEEAMVLMGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N7O2/c1-34-20-17(21(23,24)25)19(28-13-3-2-8-31(11-13)16(33)6-7-26)29-18(30-20)14-9-27-15-5-4-12(22)10-32(14)15/h4-5,9-10,13H,2-3,6,8,11H2,1H3,(H,28,29,30).
What are the key properties of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 477.42 g/mol, XLogP of 3.27, 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-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 67256576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).