4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine)

C69H81BrClIN18O5 — CID 159974404

IUPAC4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine)
SMILESBrc1ccc2cc(N3CCOCC3)nn2c1.Cc1ccc2cc(N3CCOCC3)nn2c1.Cc1ccc2cc(N3CCOCC3)nn2c1.Cc1ccc2cc(N3CCOCC3)nn2c1.Clc1ccc2cc(N3CCCC3)nn2c1.Ic1ccc2cc(N3CCOCC3)nn2c1
InChIInChI=1S/3C12H15N3O.C11H12BrN3O.C11H12ClN3.C11H12IN3O/c3*1-10-2-3-11-8-12(13-15(11)9-10)14-4-6-16-7-5-14;12-9-1-2-10-7-11(13-15(10)8-9)14-3-5-16-6-4-14;12-9-3-4-10-7-11(13-15(10)8-9)14-5-1-2-6-14;12-9-1-2-10-7-11(13-15(10)8-9)14-3-5-16-6-4-14/h3*2-3,8-9H,4-7H2,1H3;1-2,7-8H,3-6H2;3-4,7-8H,1-2,5-6H2;1-2,7-8H,3-6H2
InChIKeyOEYRJQMHUDKHNL-UHFFFAOYSA-N
MW1484.79 g/mol
LogP10.73
Rot. Bonds6

About 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine)

4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine) (PubChem CID 159974404) has the molecular formula C69H81BrClIN18O5 and a molecular weight of 1484.79 g/mol. Its IUPAC name is 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine).

Molecular Properties

Compound Name4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine)
PubChem CID159974404
Molecular FormulaC69H81BrClIN18O5
Molecular Weight1484.79 g/mol
Exact Mass1482.46
IUPAC Name4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine)
SMILESBrc1ccc2cc(N3CCOCC3)nn2c1.Cc1ccc2cc(N3CCOCC3)nn2c1.Cc1ccc2cc(N3CCOCC3)nn2c1.Cc1ccc2cc(N3CCOCC3)nn2c1.Clc1ccc2cc(N3CCCC3)nn2c1.Ic1ccc2cc(N3CCOCC3)nn2c1
InChIInChI=1S/3C12H15N3O.C11H12BrN3O.C11H12ClN3.C11H12IN3O/c3*1-10-2-3-11-8-12(13-15(11)9-10)14-4-6-16-7-5-14;12-9-1-2-10-7-11(13-15(10)8-9)14-3-5-16-6-4-14;12-9-3-4-10-7-11(13-15(10)8-9)14-5-1-2-6-14;12-9-1-2-10-7-11(13-15(10)8-9)14-3-5-16-6-4-14/h3*2-3,8-9H,4-7H2,1H3;1-2,7-8H,3-6H2;3-4,7-8H,1-2,5-6H2;1-2,7-8H,3-6H2
InChIKeyOEYRJQMHUDKHNL-UHFFFAOYSA-N
XLogP10.73
TPSA169.39 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds6
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001484.79
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine) with MolForge

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Related Compounds

4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine
CID 123391583
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)morpholine
CID 138739515
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
4-(6-chloro-4-methylquinolin-2-yl)morpholine
CID 1477208
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 87675194
4-(4-iodophenyl)-1,4-oxazepane
CID 121246914
4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 155800699
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353
azane;4-(6-methyl-2-pyridinyl)morpholine
CID 175085700
4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
CID 70566541

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine)?
The IUPAC name of 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine) (CID 159974404) is 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine).
What is the SMILES notation for 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine)?
The canonical SMILES for 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine) is Brc1ccc2cc(N3CCOCC3)nn2c1.Cc1ccc2cc(N3CCOCC3)nn2c1.Cc1ccc2cc(N3CCOCC3)nn2c1.Cc1ccc2cc(N3CCOCC3)nn2c1.Clc1ccc2cc(N3CCCC3)nn2c1.Ic1ccc2cc(N3CCOCC3)nn2c1.
What is the InChIKey of 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine)?
The InChIKey is OEYRJQMHUDKHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H15N3O.C11H12BrN3O.C11H12ClN3.C11H12IN3O/c3*1-10-2-3-11-8-12(13-15(11)9-10)14-4-6-16-7-5-14;12-9-1-2-10-7-11(13-15(10)8-9)14-3-5-16-6-4-14;12-9-3-4-10-7-11(13-15(10)8-9)14-5-1-2-6-14;12-9-1-2-10-7-11(13-15(10)8-9)14-3-5-16-6-4-14/h3*2-3,8-9H,4-7H2,1H3;1-2,7-8H,3-6H2;3-4,7-8H,1-2,5-6H2;1-2,7-8H,3-6H2.
What are the key properties of 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine)?
4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine) has a molecular weight of 1484.79 g/mol, XLogP of 10.73, 6 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromopyrazolo[1,5-a]pyridin-2-yl)morpholine;6-chloro-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine;4-(6-iodopyrazolo[1,5-a]pyridin-2-yl)morpholine;tris(4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine) is sourced from PubChem (CID 159974404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).