7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C18H19N5O3 — CID 124976079

IUPAC7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(=O)n3ccnc3[nH]2)cn1
InChIInChI=1S/C18H19N5O3/c1-26-15-6-5-12(11-20-15)17(25)22-8-3-2-4-14(22)13-10-16(24)23-9-7-19-18(23)21-13/h5-7,9-11,14H,2-4,8H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyVLKIDBLKSOCUAL-AWEZNQCLSA-N
MW353.38 g/mol
LogP1.79
Rot. Bonds3

About 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 124976079) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID124976079
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(=O)n3ccnc3[nH]2)cn1
InChIInChI=1S/C18H19N5O3/c1-26-15-6-5-12(11-20-15)17(25)22-8-3-2-4-14(22)13-10-16(24)23-9-7-19-18(23)21-13/h5-7,9-11,14H,2-4,8H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyVLKIDBLKSOCUAL-AWEZNQCLSA-N
XLogP1.79
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118084
7-[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118175
7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124967459
7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124947088
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
(6-methoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124968333
7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125026892
7-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118205
(6-methoxy-3-pyridinyl)-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
CID 110118495
(6-methoxy-3-pyridinyl)-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92565288
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125017304

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 124976079) is 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is COc1ccc(C(=O)N2CCCC[C@H]2c2cc(=O)n3ccnc3[nH]2)cn1.
What is the InChIKey of 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is VLKIDBLKSOCUAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-26-15-6-5-12(11-20-15)17(25)22-8-3-2-4-14(22)13-10-16(24)23-9-7-19-18(23)21-13/h5-7,9-11,14H,2-4,8H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 353.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 124976079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).