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

C32H40Br2N10O4Sn — CID 159359793

IUPAC3-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
SMILESBrc1[nH]nc2ncccc12.Brc1nn(C2CCOC2)c2ncccc12.C[Sn](C)(C)c1nn(C2CCOC2)c2nccnc12.OC1CCOC1
InChIInChI=1S/C10H10BrN3O.C9H9N4O.C6H4BrN3.C4H8O2.3CH3.Sn/c11-9-8-2-1-4-12-10(8)14(13-9)7-3-5-15-6-7;1-4-14-6-7(1)13-9-8(5-12-13)10-2-3-11-9;7-5-4-2-1-3-8-6(4)10-9-5;5-4-1-2-6-3-4;;;;/h1-2,4,7H,3,5-6H2;2-3,7H,1,4,6H2;1-3H,(H,8,9,10);4-5H,1-3H2;3*1H3;
InChIKeyLIJSBKNDYJIBTL-UHFFFAOYSA-N
MW907.26 g/mol
LogP4.98
Rot. Bonds3

About 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

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 (PubChem CID 159359793) has the molecular formula C32H40Br2N10O4Sn and a molecular weight of 907.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159359793
Molecular FormulaC32H40Br2N10O4Sn
Molecular Weight907.26 g/mol
Exact Mass906.06
IUPAC Name3-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
SMILESBrc1[nH]nc2ncccc12.Brc1nn(C2CCOC2)c2ncccc12.C[Sn](C)(C)c1nn(C2CCOC2)c2nccnc12.OC1CCOC1
InChIInChI=1S/C10H10BrN3O.C9H9N4O.C6H4BrN3.C4H8O2.3CH3.Sn/c11-9-8-2-1-4-12-10(8)14(13-9)7-3-5-15-6-7;1-4-14-6-7(1)13-9-8(5-12-13)10-2-3-11-9;7-5-4-2-1-3-8-6(4)10-9-5;5-4-1-2-6-3-4;;;;/h1-2,4,7H,3,5-6H2;2-3,7H,1,4,6H2;1-3H,(H,8,9,10);4-5H,1-3H2;3*1H3;
InChIKeyLIJSBKNDYJIBTL-UHFFFAOYSA-N
XLogP4.98
TPSA163.80 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.26
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

(3R,4S)-4-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]oxolan-3-ol;bis((3R,4S)-4-(4-bromopyrazol-1-yl)oxolan-3-ol);(3S,4R)-4-(4-bromopyrazol-1-yl)oxolan-3-ol;methane
CID 158273777
(1S)-1-[2-[4-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)ethanamine;(3S)-oxolan-3-ol;[(3S)-oxolan-3-yl] methanesulfonate;1-[(3R)-oxolan-3-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;iodide;hydroiodide
CID 160888729
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
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
(3R,4S)-4-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]oxolan-3-ol;bis((3R,4S)-4-(4-bromopyrazol-1-yl)oxolan-3-ol);(3S,4R)-4-(4-bromopyrazol-1-yl)oxolan-3-ol
CID 164998950
(3R)-4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 167137453
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
3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 170053224
(1S,4S)-5-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 170053276
(1R,4R)-5-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 170053277
4-[5-bromo-4-(2-methylpyrazol-3-yl)-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 174210496

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1[nH]nc2ncccc12.Brc1nn(C2CCOC2)c2ncccc12.C[Sn](C)(C)c1nn(C2CCOC2)c2nccnc12.OC1CCOC1.
What is the InChIKey of 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?
The InChIKey is LIJSBKNDYJIBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O.C9H9N4O.C6H4BrN3.C4H8O2.3CH3.Sn/c11-9-8-2-1-4-12-10(8)14(13-9)7-3-5-15-6-7;1-4-14-6-7(1)13-9-8(5-12-13)10-2-3-11-9;7-5-4-2-1-3-8-6(4)10-9-5;5-4-1-2-6-3-4;;;;/h1-2,4,7H,3,5-6H2;2-3,7H,1,4,6H2;1-3H,(H,8,9,10);4-5H,1-3H2;3*1H3;.
What are the key properties of 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?
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 has a molecular weight of 907.26 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159359793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).