3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane

C42H52Br2N12O4Sn — CID 162080575

IUPAC3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane
SMILESBrc1[nH]nc2ncccc12.Brc1nn(C2CCOCC2)c2ncccc12.C[Sn](C)(C)c1nn(C2CCOCC2)c2ncccc12.OC1CCOCC1.c1cnc2[nH]ncc2c1
InChIInChI=1S/C11H12BrN3O.C11H12N3O.C6H4BrN3.C6H5N3.C5H10O2.3CH3.Sn/c12-10-9-2-1-5-13-11(9)15(14-10)8-3-6-16-7-4-8;1-2-9-8-13-14(11(9)12-5-1)10-3-6-15-7-4-10;7-5-4-2-1-3-8-6(4)10-9-5;1-2-5-4-8-9-6(5)7-3-1;6-5-1-3-7-4-2-5;;;;/h1-2,5,8H,3-4,6-7H2;1-2,5,10H,3-4,6-7H2;1-3H,(H,8,9,10);1-4H,(H,7,8,9);5-6H,1-4H2;3*1H3;
InChIKeyZCHBDYZCZGULHK-UHFFFAOYSA-N
MW1067.48 g/mol
LogP7.71
Rot. Bonds3

About 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane

3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane (PubChem CID 162080575) has the molecular formula C42H52Br2N12O4Sn and a molecular weight of 1067.48 g/mol. Its IUPAC name is 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane.

Molecular Properties

Compound Name3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane
PubChem CID162080575
Molecular FormulaC42H52Br2N12O4Sn
Molecular Weight1067.48 g/mol
Exact Mass1066.16
IUPAC Name3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane
SMILESBrc1[nH]nc2ncccc12.Brc1nn(C2CCOCC2)c2ncccc12.C[Sn](C)(C)c1nn(C2CCOCC2)c2ncccc12.OC1CCOCC1.c1cnc2[nH]ncc2c1
InChIInChI=1S/C11H12BrN3O.C11H12N3O.C6H4BrN3.C6H5N3.C5H10O2.3CH3.Sn/c12-10-9-2-1-5-13-11(9)15(14-10)8-3-6-16-7-4-8;1-2-9-8-13-14(11(9)12-5-1)10-3-6-15-7-4-10;7-5-4-2-1-3-8-6(4)10-9-5;1-2-5-4-8-9-6(5)7-3-1;6-5-1-3-7-4-2-5;;;;/h1-2,5,8H,3-4,6-7H2;1-2,5,10H,3-4,6-7H2;1-3H,(H,8,9,10);1-4H,(H,7,8,9);5-6H,1-4H2;3*1H3;
InChIKeyZCHBDYZCZGULHK-UHFFFAOYSA-N
XLogP7.71
TPSA192.48 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001067.48
LogP ≤ 57.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane with MolForge

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Related Compounds

[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol;3-bromo-N-(pyridin-3-ylmethyl)-5-pyrrolidin-1-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-imine;ethane;ethanol;2-(methylamino)pentan-1-ol
CID 145501430
3-bromo-1-(oxolan-3-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxolan-3-ol;trimethyl-[1-(oxolan-3-yl)pyrazolo[3,4-b]pyrazin-3-yl]stannane
CID 159359793
3-bromo-1-(oxolan-3-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxolan-3-ol;trimethyl-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane
CID 161259634
2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol;2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-hydroxyethyl)amino]ethanol;trans-(1S,2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 161667460
3-bromo-1-propan-2-ylpyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;2-iodopropane;1H-pyrazolo[5,4-b]pyridine;trimethyl-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)stannane
CID 161963295
tetrakis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;3-methyloxan-4-ol
CID 167533553
3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]-propan-2-yltin;1H-pyrazolo[5,4-b]pyridine
CID 167611126
2,2-dimethyloxan-4-ol;tris(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 167635883
3-bromo-1-propan-2-ylpyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;2-iodopropane;propan-2-yl-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)tin;1H-pyrazolo[5,4-b]pyridine
CID 167687357

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
The IUPAC name of 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane (CID 162080575) is 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane.
What is the SMILES notation for 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
The canonical SMILES for 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane is Brc1[nH]nc2ncccc12.Brc1nn(C2CCOCC2)c2ncccc12.C[Sn](C)(C)c1nn(C2CCOCC2)c2ncccc12.OC1CCOCC1.c1cnc2[nH]ncc2c1.
What is the InChIKey of 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
The InChIKey is ZCHBDYZCZGULHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O.C11H12N3O.C6H4BrN3.C6H5N3.C5H10O2.3CH3.Sn/c12-10-9-2-1-5-13-11(9)15(14-10)8-3-6-16-7-4-8;1-2-9-8-13-14(11(9)12-5-1)10-3-6-15-7-4-10;7-5-4-2-1-3-8-6(4)10-9-5;1-2-5-4-8-9-6(5)7-3-1;6-5-1-3-7-4-2-5;;;;/h1-2,5,8H,3-4,6-7H2;1-2,5,10H,3-4,6-7H2;1-3H,(H,8,9,10);1-4H,(H,7,8,9);5-6H,1-4H2;3*1H3;.
What are the key properties of 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane?
3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane has a molecular weight of 1067.48 g/mol, XLogP of 7.71, 3 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine;3-bromo-2H-pyrazolo[3,4-b]pyridine;oxan-4-ol;1H-pyrazolo[5,4-b]pyridine;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane is sourced from PubChem (CID 162080575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).