(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

C17H20N6O — CID 110104905

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC(c4ncc(C)[nH]4)C3)cc2n1
InChIInChI=1S/C17H20N6O/c1-10-6-12(3)23-15(19-10)7-14(21-23)17(24)22-5-4-13(9-22)16-18-8-11(2)20-16/h6-8,13H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyBCWOYIWLADEOKY-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.01
Rot. Bonds2

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110104905) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID110104905
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC(c4ncc(C)[nH]4)C3)cc2n1
InChIInChI=1S/C17H20N6O/c1-10-6-12(3)23-15(19-10)7-14(21-23)17(24)22-5-4-13(9-22)16-18-8-11(2)20-16/h6-8,13H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyBCWOYIWLADEOKY-UHFFFAOYSA-N
XLogP2.01
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124943487
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000271
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 72863040
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 124754709
5,6-dimethyl-3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951395
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 125000644
3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951550
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124982846
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 25450118
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012156
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012155

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (CID 110104905) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCC(c4ncc(C)[nH]4)C3)cc2n1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is BCWOYIWLADEOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-10-6-12(3)23-15(19-10)7-14(21-23)17(24)22-5-4-13(9-22)16-18-8-11(2)20-16/h6-8,13H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110104905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).