1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one

C17H22N6O2 — CID 136566961

IUPAC1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one
SMILESCc1ccn2ncc(C(=O)N3CCC(CN4CCNC4=O)CC3)c2n1
InChIInChI=1S/C17H22N6O2/c1-12-2-8-23-15(20-12)14(10-19-23)16(24)21-6-3-13(4-7-21)11-22-9-5-18-17(22)25/h2,8,10,13H,3-7,9,11H2,1H3,(H,18,25)
InChIKeyCVCGRZCVAIKXIP-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.92
Rot. Bonds3

About 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one

1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one (PubChem CID 136566961) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one
PubChem CID136566961
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one
SMILESCc1ccn2ncc(C(=O)N3CCC(CN4CCNC4=O)CC3)c2n1
InChIInChI=1S/C17H22N6O2/c1-12-2-8-23-15(20-12)14(10-19-23)16(24)21-6-3-13(4-7-21)11-22-9-5-18-17(22)25/h2,8,10,13H,3-7,9,11H2,1H3,(H,18,25)
InChIKeyCVCGRZCVAIKXIP-UHFFFAOYSA-N
XLogP0.92
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(pyrrolo[1,2-b]pyridazine-7-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one
CID 136566951
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 120816495
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514397
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95326216
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95335579
3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256608
5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119512184
[2-(aminomethyl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119467896
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95606652
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 132970117
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95243344

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one (CID 136566961) is 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one is Cc1ccn2ncc(C(=O)N3CCC(CN4CCNC4=O)CC3)c2n1.
What is the InChIKey of 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one?
The InChIKey is CVCGRZCVAIKXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-2-8-23-15(20-12)14(10-19-23)16(24)21-6-3-13(4-7-21)11-22-9-5-18-17(22)25/h2,8,10,13H,3-7,9,11H2,1H3,(H,18,25).
What are the key properties of 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one?
1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 136566961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).