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

C33H41Br2N9O4Sn — CID 161259634

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[5,4-b]pyridin-3-yl]stannane
SMILESBrc1[nH]nc2ncccc12.Brc1nn(C2CCOC2)c2ncccc12.C[Sn](C)(C)c1nn(C2CCOC2)c2ncccc12.OC1CCOC1
InChIInChI=1S/C10H10BrN3O.C10H10N3O.C6H4BrN3.C4H8O2.3CH3.Sn/c11-9-8-2-1-4-12-10(8)14(13-9)7-3-5-15-6-7;1-2-8-6-12-13(10(8)11-4-1)9-3-5-14-7-9;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;1-2,4,9H,3,5,7H2;1-3H,(H,8,9,10);4-5H,1-3H2;3*1H3;
InChIKeyVCJOUAWZAAHXKT-UHFFFAOYSA-N
MW906.27 g/mol
LogP5.58
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[5,4-b]pyridin-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[5,4-b]pyridin-3-yl]stannane (PubChem CID 161259634) has the molecular formula C33H41Br2N9O4Sn and a molecular weight of 906.27 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[5,4-b]pyridin-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[5,4-b]pyridin-3-yl]stannane
PubChem CID161259634
Molecular FormulaC33H41Br2N9O4Sn
Molecular Weight906.27 g/mol
Exact Mass905.07
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[5,4-b]pyridin-3-yl]stannane
SMILESBrc1[nH]nc2ncccc12.Brc1nn(C2CCOC2)c2ncccc12.C[Sn](C)(C)c1nn(C2CCOC2)c2ncccc12.OC1CCOC1
InChIInChI=1S/C10H10BrN3O.C10H10N3O.C6H4BrN3.C4H8O2.3CH3.Sn/c11-9-8-2-1-4-12-10(8)14(13-9)7-3-5-15-6-7;1-2-8-6-12-13(10(8)11-4-1)9-3-5-14-7-9;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;1-2,4,9H,3,5,7H2;1-3H,(H,8,9,10);4-5H,1-3H2;3*1H3;
InChIKeyVCJOUAWZAAHXKT-UHFFFAOYSA-N
XLogP5.58
TPSA150.91 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.27
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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[5,4-b]pyridin-3-yl]stannane with MolForge

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Related Compounds

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-(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
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

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[5,4-b]pyridin-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[5,4-b]pyridin-3-yl]stannane (CID 161259634) 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[5,4-b]pyridin-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[5,4-b]pyridin-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[5,4-b]pyridin-3-yl]stannane is Brc1[nH]nc2ncccc12.Brc1nn(C2CCOC2)c2ncccc12.C[Sn](C)(C)c1nn(C2CCOC2)c2ncccc12.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[5,4-b]pyridin-3-yl]stannane?
The InChIKey is VCJOUAWZAAHXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O.C10H10N3O.C6H4BrN3.C4H8O2.3CH3.Sn/c11-9-8-2-1-4-12-10(8)14(13-9)7-3-5-15-6-7;1-2-8-6-12-13(10(8)11-4-1)9-3-5-14-7-9;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;1-2,4,9H,3,5,7H2;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[5,4-b]pyridin-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[5,4-b]pyridin-3-yl]stannane has a molecular weight of 906.27 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 12 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[5,4-b]pyridin-3-yl]stannane is sourced from PubChem (CID 161259634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).