3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide

C24H21ClN6O — CID 175885580

IUPAC3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESCc1cc(-c2c(-c3cccc(C#N)c3)nn3ccc(CC(C)(C)C(N)=O)nc23)cc(Cl)n1
InChIInChI=1S/C24H21ClN6O/c1-14-9-17(11-19(25)28-14)20-21(16-6-4-5-15(10-16)13-26)30-31-8-7-18(29-22(20)31)12-24(2,3)23(27)32/h4-11H,12H2,1-3H3,(H2,27,32)
InChIKeyRBSCZAINMVAHCM-UHFFFAOYSA-N
MW444.93 g/mol
LogP4.35
Rot. Bonds5

About 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide

3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide (PubChem CID 175885580) has the molecular formula C24H21ClN6O and a molecular weight of 444.93 g/mol. Its IUPAC name is 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide
PubChem CID175885580
Molecular FormulaC24H21ClN6O
Molecular Weight444.93 g/mol
Exact Mass444.15
IUPAC Name3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESCc1cc(-c2c(-c3cccc(C#N)c3)nn3ccc(CC(C)(C)C(N)=O)nc23)cc(Cl)n1
InChIInChI=1S/C24H21ClN6O/c1-14-9-17(11-19(25)28-14)20-21(16-6-4-5-15(10-16)13-26)30-31-8-7-18(29-22(20)31)12-24(2,3)23(27)32/h4-11H,12H2,1-3H3,(H2,27,32)
InChIKeyRBSCZAINMVAHCM-UHFFFAOYSA-N
XLogP4.35
TPSA109.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide 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 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide (CID 175885580) is 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide is Cc1cc(-c2c(-c3cccc(C#N)c3)nn3ccc(CC(C)(C)C(N)=O)nc23)cc(Cl)n1.
What is the InChIKey of 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide?
The InChIKey is RBSCZAINMVAHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O/c1-14-9-17(11-19(25)28-14)20-21(16-6-4-5-15(10-16)13-26)30-31-8-7-18(29-22(20)31)12-24(2,3)23(27)32/h4-11H,12H2,1-3H3,(H2,27,32).
What are the key properties of 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide?
3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide has a molecular weight of 444.93 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 175885580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).