N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H26N4O3 — CID 5069258

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccc5c(c4)OCO5)cnn3c2C)c1
InChIInChI=1S/C26H26N4O3/c1-15-5-6-16(2)20(9-15)11-21-17(3)29-25-22(13-28-30(25)18(21)4)26(31)27-12-19-7-8-23-24(10-19)33-14-32-23/h5-10,13H,11-12,14H2,1-4H3,(H,27,31)
InChIKeyGTDQOSKTSLCIDZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.21
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5069258) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5069258
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccc5c(c4)OCO5)cnn3c2C)c1
InChIInChI=1S/C26H26N4O3/c1-15-5-6-16(2)20(9-15)11-21-17(3)29-25-22(13-28-30(25)18(21)4)26(31)27-12-19-7-8-23-24(10-19)33-14-32-23/h5-10,13H,11-12,14H2,1-4H3,(H,27,31)
InChIKeyGTDQOSKTSLCIDZ-UHFFFAOYSA-N
XLogP4.21
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5069258) is N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccc5c(c4)OCO5)cnn3c2C)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GTDQOSKTSLCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-15-5-6-16(2)20(9-15)11-21-17(3)29-25-22(13-28-30(25)18(21)4)26(31)27-12-19-7-8-23-24(10-19)33-14-32-23/h5-10,13H,11-12,14H2,1-4H3,(H,27,31).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5069258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).