(7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C24H19N5O2 — CID 26182684

About (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

(7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 26182684) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
• PubChem CID: 26182684
• Molecular Formula: C24H19N5O2
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.15
• IUPAC Name: (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
• SMILES: Cc1nn2c(c1-c1ccccc1)N=C(c1cccc([N+](=O)[O-])c1)C[C@@H]2c1ccncc1
• InChI: InChI=1S/C24H19N5O2/c1-16-23(18-6-3-2-4-7-18)24-26-21(19-8-5-9-20(14-19)29(30)31)15-22(28(24)27-16)17-10-12-25-13-11-17/h2-14,22H,15H2,1H3/t22-/m1/s1
• InChIKey: ZLEYACAJVKKWLU-JOCHJYFZSA-N
• XLogP: 5.28
• TPSA: 86.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?

The IUPAC name of (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 26182684) is (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?

The canonical SMILES for (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1)N=C(c1cccc([N+](=O)[O-])c1)C[C@@H]2c1ccncc1.

What is the InChIKey of (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?

The InChIKey is ZLEYACAJVKKWLU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-16-23(18-6-3-2-4-7-18)24-26-21(19-8-5-9-20(14-19)29(30)31)15-22(28(24)27-16)17-10-12-25-13-11-17/h2-14,22H,15H2,1H3/t22-/m1/s1.

What are the key properties of (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?

(7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 409.45 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 26182684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).