3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C24H18ClN7O — CID 157038445

About 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 157038445) has the molecular formula C24H18ClN7O and a molecular weight of 455.91 g/mol. Its IUPAC name is 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• PubChem CID: 157038445
• Molecular Formula: C24H18ClN7O
• Molecular Weight: 455.91 g/mol
• Exact Mass: 455.13
• IUPAC Name: 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• SMILES: Cc1cc(-c2c(-c3cccc(C#N)c3)nn3ccc(C(=O)NC(C)(C)C#N)nc23)cc(Cl)n1
• InChI: InChI=1S/C24H18ClN7O/c1-14-9-17(11-19(25)28-14)20-21(16-6-4-5-15(10-16)12-26)31-32-8-7-18(29-22(20)32)23(33)30-24(2,3)13-27/h4-11H,1-3H3,(H,30,33)
• InChIKey: SVQIPMAYGLVLKP-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 119.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.91
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The IUPAC name of 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 157038445) is 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

What is the SMILES notation for 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The canonical SMILES for 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc(-c2c(-c3cccc(C#N)c3)nn3ccc(C(=O)NC(C)(C)C#N)nc23)cc(Cl)n1.

What is the InChIKey of 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The InChIKey is SVQIPMAYGLVLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN7O/c1-14-9-17(11-19(25)28-14)20-21(16-6-4-5-15(10-16)12-26)31-32-8-7-18(29-22(20)32)23(33)30-24(2,3)13-27/h4-11H,1-3H3,(H,30,33).

What are the key properties of 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 455.91 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 157038445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).