7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C19H21N5O2 — CID 124967459

IUPAC7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESO=C(CCc1cccnc1)N1CCCC[C@@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C19H21N5O2/c25-17(7-6-14-4-3-8-20-13-14)23-10-2-1-5-16(23)15-12-18(26)24-11-9-21-19(24)22-15/h3-4,8-9,11-13,16H,1-2,5-7,10H2,(H,21,22)/t16-/m1/s1
InChIKeyKJCPUXBBBMNITD-MRXNPFEDSA-N
MW351.41 g/mol
LogP2.10
Rot. Bonds4

About 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 124967459) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID124967459
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESO=C(CCc1cccnc1)N1CCCC[C@@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C19H21N5O2/c25-17(7-6-14-4-3-8-20-13-14)23-10-2-1-5-16(23)15-12-18(26)24-11-9-21-19(24)22-15/h3-4,8-9,11-13,16H,1-2,5-7,10H2,(H,21,22)/t16-/m1/s1
InChIKeyKJCPUXBBBMNITD-MRXNPFEDSA-N
XLogP2.10
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one with MolForge

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Related Compounds

1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175652588
7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124952271
1-[2-(4-fluorophenyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70715895
7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124947088
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
7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976079
7-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118084
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
7-[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118175
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-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 124967459) is 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is O=C(CCc1cccnc1)N1CCCC[C@@H]1c1cc(=O)n2ccnc2[nH]1.
What is the InChIKey of 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is KJCPUXBBBMNITD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-17(7-6-14-4-3-8-20-13-14)23-10-2-1-5-16(23)15-12-18(26)24-11-9-21-19(24)22-15/h3-4,8-9,11-13,16H,1-2,5-7,10H2,(H,21,22)/t16-/m1/s1.
What are the key properties of 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 351.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 124967459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).