4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide

C24H21N7O3 — CID 135885846

IUPAC4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H21N7O3/c1-14-4-8-17(9-5-14)30-21-19(13-25-30)23(33)28-24(27-21)31-20(12-15(2)29-31)26-22(32)16-6-10-18(34-3)11-7-16/h4-13H,1-3H3,(H,26,32)(H,27,28,33)
InChIKeyGZVMWDATIMGSAV-UHFFFAOYSA-N
MW455.48 g/mol
LogP3.17
Rot. Bonds5

About 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide (PubChem CID 135885846) has the molecular formula C24H21N7O3 and a molecular weight of 455.48 g/mol. Its IUPAC name is 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide
PubChem CID135885846
Molecular FormulaC24H21N7O3
Molecular Weight455.48 g/mol
Exact Mass455.17
IUPAC Name4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H21N7O3/c1-14-4-8-17(9-5-14)30-21-19(13-25-30)23(33)28-24(27-21)31-20(12-15(2)29-31)26-22(32)16-6-10-18(34-3)11-7-16/h4-13H,1-3H3,(H,26,32)(H,27,28,33)
InChIKeyGZVMWDATIMGSAV-UHFFFAOYSA-N
XLogP3.17
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide (CID 135885846) is 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide?
The InChIKey is GZVMWDATIMGSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3/c1-14-4-8-17(9-5-14)30-21-19(13-25-30)23(33)28-24(27-21)31-20(12-15(2)29-31)26-22(32)16-6-10-18(34-3)11-7-16/h4-13H,1-3H3,(H,26,32)(H,27,28,33).
What are the key properties of 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide has a molecular weight of 455.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 135885846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).