6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C52H66BClN10O4 — CID 160633257

IUPAC6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CB1OC(C)(C)C(C)(C)O1.C=Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1.Clc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1
InChIInChI=1S/C23H27N5O.C21H24ClN5O.C8H15BO2/c1-2-18-7-6-8-20(25-18)17-15-21-22(24-16-17)26-23(29-21)28-13-9-19(10-14-28)27-11-4-3-5-12-27;22-19-6-4-5-17(24-19)15-13-18-20(23-14-15)25-21(28-18)27-11-7-16(8-12-27)26-9-2-1-3-10-26;1-6-9-10-7(2,3)8(4,5)11-9/h2,6-8,15-16,19H,1,3-5,9-14H2;4-6,13-14,16H,1-3,7-12H2;6H,1H2,2-5H3
InChIKeyRIETVBNMUCQSHI-UHFFFAOYSA-N
MW941.43 g/mol
LogP10.58
Rot. Bonds8

About 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 160633257) has the molecular formula C52H66BClN10O4 and a molecular weight of 941.43 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID160633257
Molecular FormulaC52H66BClN10O4
Molecular Weight941.43 g/mol
Exact Mass940.51
IUPAC Name6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CB1OC(C)(C)C(C)(C)O1.C=Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1.Clc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1
InChIInChI=1S/C23H27N5O.C21H24ClN5O.C8H15BO2/c1-2-18-7-6-8-20(25-18)17-15-21-22(24-16-17)26-23(29-21)28-13-9-19(10-14-28)27-11-4-3-5-12-27;22-19-6-4-5-17(24-19)15-13-18-20(23-14-15)25-21(28-18)27-11-7-16(8-12-27)26-9-2-1-3-10-26;1-6-9-10-7(2,3)8(4,5)11-9/h2,6-8,15-16,19H,1,3-5,9-14H2;4-6,13-14,16H,1-3,7-12H2;6H,1H2,2-5H3
InChIKeyRIETVBNMUCQSHI-UHFFFAOYSA-N
XLogP10.58
TPSA135.04 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.43
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Launch Full Analysis

Related Compounds

6-(6-methyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57400951
6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 58579675
3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde
CID 57395715
6-(4-ethynylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 58579688
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide
CID 46244801
2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 63587650
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 91001774
6-(4-methylphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 58579706
methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate
CID 66905434
5-(3,5-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
CID 11372742
1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]ethanone
CID 45482714

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 160633257) is 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1.Clc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1.
What is the InChIKey of 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RIETVBNMUCQSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.C21H24ClN5O.C8H15BO2/c1-2-18-7-6-8-20(25-18)17-15-21-22(24-16-17)26-23(29-21)28-13-9-19(10-14-28)27-11-4-3-5-12-27;22-19-6-4-5-17(24-19)15-13-18-20(23-14-15)25-21(28-18)27-11-7-16(8-12-27)26-9-2-1-3-10-26;1-6-9-10-7(2,3)8(4,5)11-9/h2,6-8,15-16,19H,1,3-5,9-14H2;4-6,13-14,16H,1-3,7-12H2;6H,1H2,2-5H3.
What are the key properties of 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 941.43 g/mol, XLogP of 10.58, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 160633257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).