4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide

C24H25N5O3 — CID 162661994

IUPAC4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(C(N)=O)cc4)nc(C)cc23)cc1OC
InChIInChI=1S/C24H25N5O3/c1-14-11-19-22(18-9-10-20(31-3)21(12-18)32-4)15(2)28-29(19)24(27-14)26-13-16-5-7-17(8-6-16)23(25)30/h5-12H,13H2,1-4H3,(H2,25,30)(H,26,27)
InChIKeyLSPXYBKNTWBAPM-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.74
Rot. Bonds7

About 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide

4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide (PubChem CID 162661994) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide
PubChem CID162661994
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(C(N)=O)cc4)nc(C)cc23)cc1OC
InChIInChI=1S/C24H25N5O3/c1-14-11-19-22(18-9-10-20(31-3)21(12-18)32-4)15(2)28-29(19)24(27-14)26-13-16-5-7-17(8-6-16)23(25)30/h5-12H,13H2,1-4H3,(H2,25,30)(H,26,27)
InChIKeyLSPXYBKNTWBAPM-UHFFFAOYSA-N
XLogP3.74
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide?
The IUPAC name of 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide (CID 162661994) is 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide is COc1ccc(-c2c(C)nn3c(NCc4ccc(C(N)=O)cc4)nc(C)cc23)cc1OC.
What is the InChIKey of 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide?
The InChIKey is LSPXYBKNTWBAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-11-19-22(18-9-10-20(31-3)21(12-18)32-4)15(2)28-29(19)24(27-14)26-13-16-5-7-17(8-6-16)23(25)30/h5-12H,13H2,1-4H3,(H2,25,30)(H,26,27).
What are the key properties of 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide?
4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide has a molecular weight of 431.50 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-c]pyrimidin-7-yl]amino]methyl]benzamide is sourced from PubChem (CID 162661994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).