4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine

C20H22N8 — CID 70752651

IUPAC4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1cc(C)n(C2CN(c3nc(-c4ccccn4)nc4c3c(C)nn4C)C2)n1
InChIInChI=1S/C20H22N8/c1-12-9-13(2)28(24-12)15-10-27(11-15)20-17-14(3)25-26(4)19(17)22-18(23-20)16-7-5-6-8-21-16/h5-9,15H,10-11H2,1-4H3
InChIKeyNTYSAENXGPTXSM-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.61
Rot. Bonds3

About 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine

4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 70752651) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
PubChem CID70752651
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1cc(C)n(C2CN(c3nc(-c4ccccn4)nc4c3c(C)nn4C)C2)n1
InChIInChI=1S/C20H22N8/c1-12-9-13(2)28(24-12)15-10-27(11-15)20-17-14(3)25-26(4)19(17)22-18(23-20)16-7-5-6-8-21-16/h5-9,15H,10-11H2,1-4H3
InChIKeyNTYSAENXGPTXSM-UHFFFAOYSA-N
XLogP2.61
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine (CID 70752651) is 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine is Cc1cc(C)n(C2CN(c3nc(-c4ccccn4)nc4c3c(C)nn4C)C2)n1.
What is the InChIKey of 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is NTYSAENXGPTXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-12-9-13(2)28(24-12)15-10-27(11-15)20-17-14(3)25-26(4)19(17)22-18(23-20)16-7-5-6-8-21-16/h5-9,15H,10-11H2,1-4H3.
What are the key properties of 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 374.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 70752651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).