4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane

C41H58Br2ClN11O2Sn — CID 158864321

IUPAC4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane
SMILESBrC1=NCc2ncccc21.Brc1nn(CCN2CCOCC2)c2ncccc12.C[Sn](C)(C)c1nn(CCN2CCOCC2)c2ncccc12.ClCCN1CCCCC1
InChIInChI=1S/C12H15BrN4O.C12H15N4O.C7H5BrN2.C7H14ClN.3CH3.Sn/c13-11-10-2-1-3-14-12(10)17(15-11)5-4-16-6-8-18-9-7-16;1-2-11-10-14-16(12(11)13-3-1)5-4-15-6-8-17-9-7-15;8-7-5-2-1-3-9-6(5)4-10-7;8-4-7-9-5-2-1-3-6-9;;;;/h1-3H,4-9H2;1-3H,4-9H2;1-3H,4H2;1-7H2;3*1H3;
InChIKeyJBAQNEVOWFIEHE-UHFFFAOYSA-N
MW1050.96 g/mol
LogP6.28
Rot. Bonds9

About 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane

4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane (PubChem CID 158864321) has the molecular formula C41H58Br2ClN11O2Sn and a molecular weight of 1050.96 g/mol. Its IUPAC name is 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane.

Molecular Properties

Compound Name4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane
PubChem CID158864321
Molecular FormulaC41H58Br2ClN11O2Sn
Molecular Weight1050.96 g/mol
Exact Mass1049.19
IUPAC Name4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane
SMILESBrC1=NCc2ncccc21.Brc1nn(CCN2CCOCC2)c2ncccc12.C[Sn](C)(C)c1nn(CCN2CCOCC2)c2ncccc12.ClCCN1CCCCC1
InChIInChI=1S/C12H15BrN4O.C12H15N4O.C7H5BrN2.C7H14ClN.3CH3.Sn/c13-11-10-2-1-3-14-12(10)17(15-11)5-4-16-6-8-18-9-7-16;1-2-11-10-14-16(12(11)13-3-1)5-4-15-6-8-17-9-7-15;8-7-5-2-1-3-9-6(5)4-10-7;8-4-7-9-5-2-1-3-6-9;;;;/h1-3H,4-9H2;1-3H,4-9H2;1-3H,4H2;1-7H2;3*1H3;
InChIKeyJBAQNEVOWFIEHE-UHFFFAOYSA-N
XLogP6.28
TPSA114.85 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001050.96
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane with MolForge

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Related Compounds

US20240018151, Example 3
CID 163266583
US20240018151, Example 18
CID 163266629
(R)-3-methyl-4-(7-(1-methyl-1H-pyrazol-5-yl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)morpholine
CID 168071409
4-[5-(1-Phenylpyrazol-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266677
N,N-dimethyl-2-[5-methyl-3-[5-[3-(4-methyl-2-pyridyl)pyrazol-1-yl]-7-morpholino-pyrazolo[1,5-a]pyrimidin-2-yl]pyrazol-1-yl]ethanamine
CID 163912076
4-[5-[3-(3-Bromophenyl)pyrazol-1-yl]-2-(3-pyridyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064335
4-[5-(3-Phenylpyrazol-1-yl)-2-pyrimidin-4-yl-pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064351
4-[2-(4-Pyridyl)-5-[3-(4-pyridyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064360
4-[5-[3-(5-Methyl-3-pyridyl)pyrazol-1-yl]-2-(3-pyridyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064361
4-[5-[3-(2-Methyl-4-pyridyl)pyrazol-1-yl]-2-(3-pyridyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064362
4-[2-(4-Pyridyl)-5-[4-(4-pyridyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064363
4-[5-(3-Phenylpyrazol-1-yl)-2-pyrimidin-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064367

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
The IUPAC name of 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane (CID 158864321) is 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane.
What is the SMILES notation for 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
The canonical SMILES for 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane is BrC1=NCc2ncccc21.Brc1nn(CCN2CCOCC2)c2ncccc12.C[Sn](C)(C)c1nn(CCN2CCOCC2)c2ncccc12.ClCCN1CCCCC1.
What is the InChIKey of 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
The InChIKey is JBAQNEVOWFIEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O.C12H15N4O.C7H5BrN2.C7H14ClN.3CH3.Sn/c13-11-10-2-1-3-14-12(10)17(15-11)5-4-16-6-8-18-9-7-16;1-2-11-10-14-16(12(11)13-3-1)5-4-15-6-8-17-9-7-15;8-7-5-2-1-3-9-6(5)4-10-7;8-4-7-9-5-2-1-3-6-9;;;;/h1-3H,4-9H2;1-3H,4-9H2;1-3H,4H2;1-7H2;3*1H3;.
What are the key properties of 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane has a molecular weight of 1050.96 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromopyrazolo[5,4-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;1-(2-chloroethyl)piperidine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane is sourced from PubChem (CID 158864321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).