4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine

C38H42BClN10O4 — CID 161473070

IUPAC4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
SMILESCC1(C)OB(c2cnc3c(c2)C=CC3)OC1(C)C.O=C1CN(c2cncc(-c3cnc4c(c3)C=CC4)n2)CCN1.O=C1CN(c2cncc(Cl)n2)CCN1
InChIInChI=1S/C16H15N5O.C14H18BNO2.C8H9ClN4O/c22-16-10-21(5-4-18-16)15-9-17-8-14(20-15)12-6-11-2-1-3-13(11)19-7-12;1-13(2)14(3,4)18-15(17-13)11-8-10-6-5-7-12(10)16-9-11;9-6-3-10-4-7(12-6)13-2-1-11-8(14)5-13/h1-2,6-9H,3-5,10H2,(H,18,22);5-6,8-9H,7H2,1-4H3;3-4H,1-2,5H2,(H,11,14)
InChIKeyWDIPEUPOTNSBLP-UHFFFAOYSA-N
MW749.09 g/mol
LogP3.06
Rot. Bonds4

About 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine

4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine (PubChem CID 161473070) has the molecular formula C38H42BClN10O4 and a molecular weight of 749.09 g/mol. Its IUPAC name is 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
PubChem CID161473070
Molecular FormulaC38H42BClN10O4
Molecular Weight749.09 g/mol
Exact Mass748.32
IUPAC Name4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
SMILESCC1(C)OB(c2cnc3c(c2)C=CC3)OC1(C)C.O=C1CN(c2cncc(-c3cnc4c(c3)C=CC4)n2)CCN1.O=C1CN(c2cncc(Cl)n2)CCN1
InChIInChI=1S/C16H15N5O.C14H18BNO2.C8H9ClN4O/c22-16-10-21(5-4-18-16)15-9-17-8-14(20-15)12-6-11-2-1-3-13(11)19-7-12;1-13(2)14(3,4)18-15(17-13)11-8-10-6-5-7-12(10)16-9-11;9-6-3-10-4-7(12-6)13-2-1-11-8(14)5-13/h1-2,6-9H,3-5,10H2,(H,18,22);5-6,8-9H,7H2,1-4H3;3-4H,1-2,5H2,(H,11,14)
InChIKeyWDIPEUPOTNSBLP-UHFFFAOYSA-N
XLogP3.06
TPSA160.48 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.09
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine (CID 161473070) is 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;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.O=C1CN(c2cncc(-c3cnc4c(c3)C=CC4)n2)CCN1.O=C1CN(c2cncc(Cl)n2)CCN1.
What is the InChIKey of 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
The InChIKey is WDIPEUPOTNSBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O.C14H18BNO2.C8H9ClN4O/c22-16-10-21(5-4-18-16)15-9-17-8-14(20-15)12-6-11-2-1-3-13(11)19-7-12;1-13(2)14(3,4)18-15(17-13)11-8-10-6-5-7-12(10)16-9-11;9-6-3-10-4-7(12-6)13-2-1-11-8(14)5-13/h1-2,6-9H,3-5,10H2,(H,18,22);5-6,8-9H,7H2,1-4H3;3-4H,1-2,5H2,(H,11,14).
What are the key properties of 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 749.09 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrazin-2-yl)piperazin-2-one;4-[6-(7H-cyclopenta[b]pyridin-3-yl)pyrazin-2-yl]piperazin-2-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 161473070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).