3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine

C23H26FN5 — CID 142594339

About 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine

3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 142594339) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
• PubChem CID: 142594339
• Molecular Formula: C23H26FN5
• Molecular Weight: 391.49 g/mol
• Exact Mass: 391.22
• IUPAC Name: 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
• SMILES: Cc1nn2ccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)nc2c1F
• InChI: InChI=1S/C23H26FN5/c1-13(2)20-17-12-16(15-6-9-25-10-7-15)4-5-18(17)26-22(20)19-8-11-29-23(27-19)21(24)14(3)28-29/h4-5,8,11-13,15,25-26H,6-7,9-10H2,1-3H3
• InChIKey: SRWRDQFXIONONJ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 58.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.49
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine (CID 142594339) is 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine is Cc1nn2ccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)nc2c1F.

What is the InChIKey of 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine?

The InChIKey is SRWRDQFXIONONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-13(2)20-17-12-16(15-6-9-25-10-7-15)4-5-18(17)26-22(20)19-8-11-29-23(27-19)21(24)14(3)28-29/h4-5,8,11-13,15,25-26H,6-7,9-10H2,1-3H3.

What are the key properties of 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine?

3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 391.49 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142594339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).