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

C17H20N6O2 — CID 124999015

IUPAC7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C17H20N6O2/c1-11-12(10-21(2)20-11)16(25)22-7-4-3-5-14(22)13-9-15(24)23-8-6-18-17(23)19-13/h6,8-10,14H,3-5,7H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyHHDLBRALONXQJK-AWEZNQCLSA-N
MW340.39 g/mol
LogP1.43
Rot. Bonds2

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

7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 124999015) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID124999015
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C17H20N6O2/c1-11-12(10-21(2)20-11)16(25)22-7-4-3-5-14(22)13-9-15(24)23-8-6-18-17(23)19-13/h6,8-10,14H,3-5,7H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyHHDLBRALONXQJK-AWEZNQCLSA-N
XLogP1.43
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 124999015) is 7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1.
What is the InChIKey of 7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is HHDLBRALONXQJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-12(10-21(2)20-11)16(25)22-7-4-3-5-14(22)13-9-15(24)23-8-6-18-17(23)19-13/h6,8-10,14H,3-5,7H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 340.39 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 124999015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).