[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

C18H22N6O — CID 110104544

IUPAC[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cn(C)c(C2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1
InChIInChI=1S/C18H22N6O/c1-11-8-13(3)24-16(19-11)9-14(21-24)18(25)23-7-5-6-15(23)17-20-12(2)10-22(17)4/h8-10,15H,5-7H2,1-4H3
InChIKeyJDFWXQFEXGDMIW-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.37
Rot. Bonds2

About [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 110104544) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID110104544
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cn(C)c(C2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1
InChIInChI=1S/C18H22N6O/c1-11-8-13(3)24-16(19-11)9-14(21-24)18(25)23-7-5-6-15(23)17-20-12(2)10-22(17)4/h8-10,15H,5-7H2,1-4H3
InChIKeyJDFWXQFEXGDMIW-UHFFFAOYSA-N
XLogP2.37
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125005800
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175653289
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 124972758
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124944166
[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 110104485
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124982655
5-[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 124974307
[(4aR,8aS)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-(furan-2-yl)methanone
CID 42541930
(E)-1-[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 110104334
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000271
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 124958848

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 110104544) is [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1cn(C)c(C2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1.
What is the InChIKey of [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is JDFWXQFEXGDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-8-13(3)24-16(19-11)9-14(21-24)18(25)23-7-5-6-15(23)17-20-12(2)10-22(17)4/h8-10,15H,5-7H2,1-4H3.
What are the key properties of [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 338.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 110104544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).