2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile

C23H23N7O — CID 67458975

IUPAC2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile
SMILESCC(C#N)Cn1cc(-c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccn23)cn1
InChIInChI=1S/C23H23N7O/c1-17(13-24)15-29-16-19(14-26-29)23-27-21(12-22-25-6-7-30(22)23)18-2-4-20(5-3-18)28-8-10-31-11-9-28/h2-7,12,14,16-17H,8-11,15H2,1H3
InChIKeyHSSAMVTVTVHIPM-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.26
Rot. Bonds5

About 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile

2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile (PubChem CID 67458975) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile
PubChem CID67458975
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile
SMILESCC(C#N)Cn1cc(-c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccn23)cn1
InChIInChI=1S/C23H23N7O/c1-17(13-24)15-29-16-19(14-26-29)23-27-21(12-22-25-6-7-30(22)23)18-2-4-20(5-3-18)28-8-10-31-11-9-28/h2-7,12,14,16-17H,8-11,15H2,1H3
InChIKeyHSSAMVTVTVHIPM-UHFFFAOYSA-N
XLogP3.26
TPSA84.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile (CID 67458975) is 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile is CC(C#N)Cn1cc(-c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccn23)cn1.
What is the InChIKey of 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile?
The InChIKey is HSSAMVTVTVHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-17(13-24)15-29-16-19(14-26-29)23-27-21(12-22-25-6-7-30(22)23)18-2-4-20(5-3-18)28-8-10-31-11-9-28/h2-7,12,14,16-17H,8-11,15H2,1H3.
What are the key properties of 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile?
2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile has a molecular weight of 413.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 67458975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).