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

C23H26FN5 — CID 142593738

About 6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine

6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 142593738) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 6-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: 6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
• PubChem CID: 142593738
• Molecular Formula: C23H26FN5
• Molecular Weight: 391.49 g/mol
• Exact Mass: 391.22
• IUPAC Name: 6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
• SMILES: Cc1cc2nc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)c(F)cn2n1
• InChI: InChI=1S/C23H26FN5/c1-13(2)21-17-11-16(15-6-8-25-9-7-15)4-5-19(17)26-23(21)22-18(24)12-29-20(27-22)10-14(3)28-29/h4-5,10-13,15,25-26H,6-9H2,1-3H3
• InChIKey: UADFBTNVFWBFGS-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 6-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 6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine (CID 142593738) is 6-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 6-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 6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)c(F)cn2n1.

What is the InChIKey of 6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine?

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

What are the key properties of 6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine?

6-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 6-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 142593738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).