[4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C23H24N6O2 — CID 42679073

IUPAC[4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c(C)nn(-c3ccccc3C)c2n1
InChIInChI=1S/C23H24N6O2/c1-15-7-4-5-8-18(15)29-22-20(16(2)26-29)21(24-17(3)25-22)27-10-12-28(13-11-27)23(30)19-9-6-14-31-19/h4-9,14H,10-13H2,1-3H3
InChIKeyLBLQYMYUDAQVCP-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.30
Rot. Bonds3

About [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 42679073) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID42679073
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name[4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c(C)nn(-c3ccccc3C)c2n1
InChIInChI=1S/C23H24N6O2/c1-15-7-4-5-8-18(15)29-22-20(16(2)26-29)21(24-17(3)25-22)27-10-12-28(13-11-27)23(30)19-9-6-14-31-19/h4-9,14H,10-13H2,1-3H3
InChIKeyLBLQYMYUDAQVCP-UHFFFAOYSA-N
XLogP3.30
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 42679073) is [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c(C)nn(-c3ccccc3C)c2n1.
What is the InChIKey of [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LBLQYMYUDAQVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-7-4-5-8-18(15)29-22-20(16(2)26-29)21(24-17(3)25-22)27-10-12-28(13-11-27)23(30)19-9-6-14-31-19/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 416.49 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 42679073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).