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

C23H26FN9O — CID 67254760

IUPAC3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCCC(Nc2cc(N3CCNCC3)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C23H26FN9O/c24-16-3-4-20-27-13-18(33(20)14-16)23-29-19(12-21(30-23)31-10-7-26-8-11-31)28-17-2-1-9-32(15-17)22(34)5-6-25/h3-4,12-14,17,26H,1-2,5,7-11,15H2,(H,28,29,30)
InChIKeyPSVYPONBUQGRDH-UHFFFAOYSA-N
MW463.52 g/mol
LogP1.66
Rot. Bonds5

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

3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 67254760) has the molecular formula C23H26FN9O and a molecular weight of 463.52 g/mol. Its IUPAC name is 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
PubChem CID67254760
Molecular FormulaC23H26FN9O
Molecular Weight463.52 g/mol
Exact Mass463.22
IUPAC Name3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCCC(Nc2cc(N3CCNCC3)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C23H26FN9O/c24-16-3-4-20-27-13-18(33(20)14-16)23-29-19(12-21(30-23)31-10-7-26-8-11-31)28-17-2-1-9-32(15-17)22(34)5-6-25/h3-4,12-14,17,26H,1-2,5,7-11,15H2,(H,28,29,30)
InChIKeyPSVYPONBUQGRDH-UHFFFAOYSA-N
XLogP1.66
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 67254760) is 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-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-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is N#CCC(=O)N1CCCC(Nc2cc(N3CCNCC3)nc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is PSVYPONBUQGRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN9O/c24-16-3-4-20-27-13-18(33(20)14-16)23-29-19(12-21(30-23)31-10-7-26-8-11-31)28-17-2-1-9-32(15-17)22(34)5-6-25/h3-4,12-14,17,26H,1-2,5,7-11,15H2,(H,28,29,30).
What are the key properties of 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 463.52 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-piperazin-1-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 67254760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).