2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine

C38H40BClF4N8O2 — CID 159502082

About 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine

2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine (PubChem CID 159502082) has the molecular formula C38H40BClF4N8O2 and a molecular weight of 763.05 g/mol. Its IUPAC name is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine.

Molecular Properties

• Compound Name: 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
• PubChem CID: 159502082
• Molecular Formula: C38H40BClF4N8O2
• Molecular Weight: 763.05 g/mol
• Exact Mass: 762.30
• IUPAC Name: 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
• SMILES: CC1(C)OB(c2cnc3c(c2)C=CC3)OC1(C)C.FC1(F)CCN(c2cncc(-c3cnc4c(c3)C=CC4)n2)C1.FC1(F)CCN(c2cncc(Cl)n2)C1
• InChI: InChI=1S/C16H14F2N4.C14H18BNO2.C8H8ClF2N3/c17-16(18)4-5-22(10-16)15-9-19-8-14(21-15)12-6-11-2-1-3-13(11)20-7-12;1-13(2)14(3,4)18-15(17-13)11-8-10-6-5-7-12(10)16-9-11;9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14/h1-2,6-9H,3-5,10H2;5-6,8-9H,7H2,1-4H3;3-4H,1-2,5H2
• InChIKey: LZNCAKCXMYDAII-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 102.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.05
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?

The IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine (CID 159502082) is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine.

What is the SMILES notation for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?

The canonical SMILES for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine is CC1(C)OB(c2cnc3c(c2)C=CC3)OC1(C)C.FC1(F)CCN(c2cncc(-c3cnc4c(c3)C=CC4)n2)C1.FC1(F)CCN(c2cncc(Cl)n2)C1.

What is the InChIKey of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?

The InChIKey is LZNCAKCXMYDAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4.C14H18BNO2.C8H8ClF2N3/c17-16(18)4-5-22(10-16)15-9-19-8-14(21-15)12-6-11-2-1-3-13(11)20-7-12;1-13(2)14(3,4)18-15(17-13)11-8-10-6-5-7-12(10)16-9-11;9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14/h1-2,6-9H,3-5,10H2;5-6,8-9H,7H2,1-4H3;3-4H,1-2,5H2.

What are the key properties of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?

2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 763.05 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159502082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).