2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H25N5O2 — CID 125015027

IUPAC2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc([C@H]3CCCCN3C(=O)CN3CCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H25N5O2/c1-13-10-16-19-14(11-17(24)23(16)20-13)15-6-2-3-9-22(15)18(25)12-21-7-4-5-8-21/h10-11,15,20H,2-9,12H2,1H3/t15-/m1/s1
InChIKeyHPUWBQJZYHKACC-OAHLLOKOSA-N
MW343.43 g/mol
LogP1.48
Rot. Bonds3

About 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 125015027) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID125015027
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc([C@H]3CCCCN3C(=O)CN3CCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H25N5O2/c1-13-10-16-19-14(11-17(24)23(16)20-13)15-6-2-3-9-22(15)18(25)12-21-7-4-5-8-21/h10-11,15,20H,2-9,12H2,1H3/t15-/m1/s1
InChIKeyHPUWBQJZYHKACC-OAHLLOKOSA-N
XLogP1.48
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125006285
2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110118335
tert-butyl 2-(5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668485
5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008686
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132890
2-methyl-5-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124977155
5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216075
5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110118481
5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008033
1-[2-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110264719
2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 110224166
1-[(2R)-2-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 92630664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 125015027) is 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc([C@H]3CCCCN3C(=O)CN3CCCC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HPUWBQJZYHKACC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-10-16-19-14(11-17(24)23(16)20-13)15-6-2-3-9-22(15)18(25)12-21-7-4-5-8-21/h10-11,15,20H,2-9,12H2,1H3/t15-/m1/s1.
What are the key properties of 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 343.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 125015027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).