7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C18H22N6O2 — CID 124995744

IUPAC7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCn1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3ccnc3[nH]2)c(C)n1
InChIInChI=1S/C18H22N6O2/c1-3-22-11-13(12(2)21-22)17(26)23-8-5-4-6-15(23)14-10-16(25)24-9-7-19-18(24)20-14/h7,9-11,15H,3-6,8H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyYYYFTCCEYNZFCW-HNNXBMFYSA-N
MW354.41 g/mol
LogP1.91
Rot. Bonds3

About 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 124995744) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID124995744
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCn1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3ccnc3[nH]2)c(C)n1
InChIInChI=1S/C18H22N6O2/c1-3-22-11-13(12(2)21-22)17(26)23-8-5-4-6-15(23)14-10-16(25)24-9-7-19-18(24)20-14/h7,9-11,15H,3-6,8H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyYYYFTCCEYNZFCW-HNNXBMFYSA-N
XLogP1.91
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 124995744) is 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is CCn1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3ccnc3[nH]2)c(C)n1.
What is the InChIKey of 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is YYYFTCCEYNZFCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-22-11-13(12(2)21-22)17(26)23-8-5-4-6-15(23)14-10-16(25)24-9-7-19-18(24)20-14/h7,9-11,15H,3-6,8H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 354.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 124995744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).