4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C21H23N7 — CID 90006014

IUPAC4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)c(C)c1
InChIInChI=1S/C21H23N7/c1-13-6-7-15(14(2)10-13)19-16(11-24-26(19)3)18-17-20(27(4)25-18)22-12-23-21(17)28-8-5-9-28/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyFHAAUPKILZKGTC-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.26
Rot. Bonds3

About 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 90006014) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID90006014
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)c(C)c1
InChIInChI=1S/C21H23N7/c1-13-6-7-15(14(2)10-13)19-16(11-24-26(19)3)18-17-20(27(4)25-18)22-12-23-21(17)28-8-5-9-28/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyFHAAUPKILZKGTC-UHFFFAOYSA-N
XLogP3.26
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 90006014) is 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine is Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)c(C)c1.
What is the InChIKey of 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is FHAAUPKILZKGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-13-6-7-15(14(2)10-13)19-16(11-24-26(19)3)18-17-20(27(4)25-18)22-12-23-21(17)28-8-5-9-28/h6-7,10-12H,5,8-9H2,1-4H3.
What are the key properties of 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3-[5-(2,4-dimethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 90006014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).