imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C17H20N6O — CID 56779088

IUPACimidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2cn3cccnc3n2)c1
InChIInChI=1S/C17H20N6O/c1-13-9-19-22(10-13)11-14-5-2-3-8-23(14)16(24)15-12-21-7-4-6-18-17(21)20-15/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3
InChIKeyOVCFOVXOZOLRHH-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.93
Rot. Bonds3

About imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779088) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779088
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Nameimidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2cn3cccnc3n2)c1
InChIInChI=1S/C17H20N6O/c1-13-9-19-22(10-13)11-14-5-2-3-8-23(14)16(24)15-12-21-7-4-6-18-17(21)20-15/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3
InChIKeyOVCFOVXOZOLRHH-UHFFFAOYSA-N
XLogP1.93
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779088) is imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCCCN2C(=O)c2cn3cccnc3n2)c1.
What is the InChIKey of imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is OVCFOVXOZOLRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-9-19-22(10-13)11-14-5-2-3-8-23(14)16(24)15-12-21-7-4-6-18-17(21)20-15/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3.
What are the key properties of imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).