4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine

C17H23N7O — CID 146104908

IUPAC4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOCCn1ccnc1C1N(c2nc(C)nc3[nH]ncc23)CC1(C)C
InChIInChI=1S/C17H23N7O/c1-11-20-14-12(9-19-22-14)15(21-11)24-10-17(2,3)13(24)16-18-5-6-23(16)7-8-25-4/h5-6,9,13H,7-8,10H2,1-4H3,(H,19,20,21,22)
InChIKeyVLFGBYNWZATSNP-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.09
Rot. Bonds5

About 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine

4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 146104908) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID146104908
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOCCn1ccnc1C1N(c2nc(C)nc3[nH]ncc23)CC1(C)C
InChIInChI=1S/C17H23N7O/c1-11-20-14-12(9-19-22-14)15(21-11)24-10-17(2,3)13(24)16-18-5-6-23(16)7-8-25-4/h5-6,9,13H,7-8,10H2,1-4H3,(H,19,20,21,22)
InChIKeyVLFGBYNWZATSNP-UHFFFAOYSA-N
XLogP2.09
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine (CID 146104908) is 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine is COCCn1ccnc1C1N(c2nc(C)nc3[nH]ncc23)CC1(C)C.
What is the InChIKey of 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is VLFGBYNWZATSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11-20-14-12(9-19-22-14)15(21-11)24-10-17(2,3)13(24)16-18-5-6-23(16)7-8-25-4/h5-6,9,13H,7-8,10H2,1-4H3,(H,19,20,21,22).
What are the key properties of 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 341.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 146104908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).