N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C26H27FN4O — CID 20862997

IUPACN-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1cccc(NC(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1C
InChIInChI=1S/C26H27FN4O/c1-15-7-6-8-23(16(15)2)29-24(32)14-13-22-17(3)28-26-25(18(4)30-31(26)19(22)5)20-9-11-21(27)12-10-20/h6-12H,13-14H2,1-5H3,(H,29,32)
InChIKeyOKAOFFFHSHJNJX-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.65
Rot. Bonds5

About N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 20862997) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID20862997
Molecular FormulaC26H27FN4O
Molecular Weight430.53 g/mol
Exact Mass430.22
IUPAC NameN-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1cccc(NC(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1C
InChIInChI=1S/C26H27FN4O/c1-15-7-6-8-23(16(15)2)29-24(32)14-13-22-17(3)28-26-25(18(4)30-31(26)19(22)5)20-9-11-21(27)12-10-20/h6-12H,13-14H2,1-5H3,(H,29,32)
InChIKeyOKAOFFFHSHJNJX-UHFFFAOYSA-N
XLogP5.65
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide 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-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 20862997) is N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1cccc(NC(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is OKAOFFFHSHJNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c1-15-7-6-8-23(16(15)2)29-24(32)14-13-22-17(3)28-26-25(18(4)30-31(26)19(22)5)20-9-11-21(27)12-10-20/h6-12H,13-14H2,1-5H3,(H,29,32).
What are the key properties of N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 430.53 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 20862997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).