4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C17H21N5O2 — CID 92578288

IUPAC4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=C(Cn1cccn1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1
InChIInChI=1S/C17H21N5O2/c23-16-10-14(22-9-2-5-15(22)19-16)13-4-1-7-20(11-13)17(24)12-21-8-3-6-18-21/h3,6,8,10,13H,1-2,4-5,7,9,11-12H2/t13-/m1/s1
InChIKeyMTTKVLRKFRPGRZ-CYBMUJFWSA-N
MW327.39 g/mol
LogP0.79
Rot. Bonds3

About 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 92578288) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID92578288
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=C(Cn1cccn1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1
InChIInChI=1S/C17H21N5O2/c23-16-10-14(22-9-2-5-15(22)19-16)13-4-1-7-20(11-13)17(24)12-21-8-3-6-18-21/h3,6,8,10,13H,1-2,4-5,7,9,11-12H2/t13-/m1/s1
InChIKeyMTTKVLRKFRPGRZ-CYBMUJFWSA-N
XLogP0.79
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217907
4-[(3R)-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92563708
4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217869
4-[(3S)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92566228
4-[(3S)-1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567131
4-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92607741
4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92607738
4-[(3R)-1-[(3S)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567657
4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92588150
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 118765182
1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119380216
4-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92568114

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 92578288) is 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is O=C(Cn1cccn1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1.
What is the InChIKey of 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is MTTKVLRKFRPGRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16-10-14(22-9-2-5-15(22)19-16)13-4-1-7-20(11-13)17(24)12-21-8-3-6-18-21/h3,6,8,10,13H,1-2,4-5,7,9,11-12H2/t13-/m1/s1.
What are the key properties of 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 92578288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).