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

C40H56Br2ClN11O3Sn — CID 161068719

IUPAC4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane
SMILESBrC1=NCc2ncccc21.Brc1nn(CCN2CCOCC2)c2cccnc12.C[Sn](C)(C)c1nn(CCN2CCOCC2)c2ncccc12.ClCCN1CCOCC1
InChIInChI=1S/C12H15BrN4O.C12H15N4O.C7H5BrN2.C6H12ClNO.3CH3.Sn/c13-12-11-10(2-1-3-14-11)17(15-12)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;7-1-2-8-3-5-9-6-4-8;;;;/h1-3H,4-9H2;1-3H,4-9H2;1-3H,4H2;1-6H2;3*1H3;
InChIKeyUEJJYXZLDJONQC-UHFFFAOYSA-N
MW1052.93 g/mol
LogP5.13
Rot. Bonds9

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

4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane (PubChem CID 161068719) has the molecular formula C40H56Br2ClN11O3Sn and a molecular weight of 1052.93 g/mol. Its IUPAC name is 4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane.

Molecular Properties

Compound Name4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane
PubChem CID161068719
Molecular FormulaC40H56Br2ClN11O3Sn
Molecular Weight1052.93 g/mol
Exact Mass1051.16
IUPAC Name4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane
SMILESBrC1=NCc2ncccc21.Brc1nn(CCN2CCOCC2)c2cccnc12.C[Sn](C)(C)c1nn(CCN2CCOCC2)c2ncccc12.ClCCN1CCOCC1
InChIInChI=1S/C12H15BrN4O.C12H15N4O.C7H5BrN2.C6H12ClNO.3CH3.Sn/c13-12-11-10(2-1-3-14-11)17(15-12)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;7-1-2-8-3-5-9-6-4-8;;;;/h1-3H,4-9H2;1-3H,4-9H2;1-3H,4H2;1-6H2;3*1H3;
InChIKeyUEJJYXZLDJONQC-UHFFFAOYSA-N
XLogP5.13
TPSA124.08 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001052.93
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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

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Related Compounds

N-methyl-N-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]quinolin-2-amine
CID 117728306
5-[8-[(3S)-3-methylmorpholin-4-yl]-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-yl]pyrimidin-2-amine
CID 73058300
4-[2-Pyridin-4-yl-5-(2-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921836
4-[2-Pyridin-4-yl-5-(1-pyridin-3-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921891
4-[5-[4-(1-Methylpiperidin-3-yl)imidazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921964
4-[4-(2-Methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine
CID 52931792
6-[6-(4-Methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine
CID 69227910
1-(4-(3-(1-((6-bromopyridin-3-yl)methyl)piperidin-4-yl)-7-morpholino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl)-3-(2-(dimethylamino)ethyl)urea
CID 86632676
3-Methyl-6-[6-morpholin-4-yl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 123950721
4-[6-[3-Ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine
CID 137457604
4-[6-[1-(2-Morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine
CID 139383790
Methoxyethane;3-methyl-6-[6-morpholin-4-yl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 144627266

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
The IUPAC name of 4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane (CID 161068719) is 4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane.
What is the SMILES notation for 4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
The canonical SMILES for 4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane is BrC1=NCc2ncccc21.Brc1nn(CCN2CCOCC2)c2cccnc12.C[Sn](C)(C)c1nn(CCN2CCOCC2)c2ncccc12.ClCCN1CCOCC1.
What is the InChIKey of 4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
The InChIKey is UEJJYXZLDJONQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O.C12H15N4O.C7H5BrN2.C6H12ClNO.3CH3.Sn/c13-12-11-10(2-1-3-14-11)17(15-12)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;7-1-2-8-3-5-9-6-4-8;;;;/h1-3H,4-9H2;1-3H,4-9H2;1-3H,4H2;1-6H2;3*1H3;.
What are the key properties of 4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane has a molecular weight of 1052.93 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromopyrazolo[4,3-b]pyridin-1-yl)ethyl]morpholine;5-bromo-7H-pyrrolo[3,4-b]pyridine;4-(2-chloroethyl)morpholine;trimethyl-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]stannane is sourced from PubChem (CID 161068719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).