imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C16H18N6O — CID 56778909

IUPACimidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn2cccnc2n1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C16H18N6O/c23-15(14-12-20-8-3-6-17-16(20)19-14)22-10-2-1-5-13(22)11-21-9-4-7-18-21/h3-4,6-9,12-13H,1-2,5,10-11H2
InChIKeyTYMINTVWESHLAP-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.62
Rot. Bonds3

About imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 56778909) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID56778909
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Nameimidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn2cccnc2n1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C16H18N6O/c23-15(14-12-20-8-3-6-17-16(20)19-14)22-10-2-1-5-13(22)11-21-9-4-7-18-21/h3-4,6-9,12-13H,1-2,5,10-11H2
InChIKeyTYMINTVWESHLAP-UHFFFAOYSA-N
XLogP1.62
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.62
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-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 56778909) is imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1cn2cccnc2n1)N1CCCCC1Cn1cccn1.
What is the InChIKey of imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is TYMINTVWESHLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-15(14-12-20-8-3-6-17-16(20)19-14)22-10-2-1-5-13(22)11-21-9-4-7-18-21/h3-4,6-9,12-13H,1-2,5,10-11H2.
What are the key properties of imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 1.62, 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-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56778909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).