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

C36H43Br2IN12Sn — CID 167687357

IUPAC3-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
SMILESBrc1[nH]nc2ncccc12.CC(C)I.CC(C)[Sn]c1nn(C(C)C)c2ncccc12.CC(C)n1nc(Br)c2cccnc21.c1cnc2[nH]ncc2c1
InChIInChI=1S/C9H10BrN3.C9H10N3.C6H4BrN3.C6H5N3.C3H7I.C3H7.Sn/c1-6(2)13-9-7(8(10)12-13)4-3-5-11-9;1-7(2)12-9-8(6-11-12)4-3-5-10-9;7-5-4-2-1-3-8-6(4)10-9-5;1-2-5-4-8-9-6(5)7-3-1;1-3(2)4;1-3-2;/h3-6H,1-2H3;3-5,7H,1-2H3;1-3H,(H,8,9,10);1-4H,(H,7,8,9);3H,1-2H3;3H,1-2H3;
InChIKeyWKFRFJGKKRFHRN-UHFFFAOYSA-N
MW1049.25 g/mol
LogP9.45
Rot. Bonds4

About 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

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 (PubChem CID 167687357) has the molecular formula C36H43Br2IN12Sn and a molecular weight of 1049.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID167687357
Molecular FormulaC36H43Br2IN12Sn
Molecular Weight1049.25 g/mol
Exact Mass1048.02
IUPAC Name3-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
SMILESBrc1[nH]nc2ncccc12.CC(C)I.CC(C)[Sn]c1nn(C(C)C)c2ncccc12.CC(C)n1nc(Br)c2cccnc21.c1cnc2[nH]ncc2c1
InChIInChI=1S/C9H10BrN3.C9H10N3.C6H4BrN3.C6H5N3.C3H7I.C3H7.Sn/c1-6(2)13-9-7(8(10)12-13)4-3-5-11-9;1-7(2)12-9-8(6-11-12)4-3-5-10-9;7-5-4-2-1-3-8-6(4)10-9-5;1-2-5-4-8-9-6(5)7-3-1;1-3(2)4;1-3-2;/h3-6H,1-2H3;3-5,7H,1-2H3;1-3H,(H,8,9,10);1-4H,(H,7,8,9);3H,1-2H3;3H,1-2H3;
InChIKeyWKFRFJGKKRFHRN-UHFFFAOYSA-N
XLogP9.45
TPSA144.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.25
LogP ≤ 59.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
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CID 159862944
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sodium;ethane;3-iodo-2H-pyrazolo[3,4-b]pyridine;3-methylpyridin-2-amine;3-methylpyridine-2-diazonium;1H-pyrazolo[5,4-b]pyridine;trifluoroborane;fluoride;tetrafluoroborate
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CID 161299753

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1[nH]nc2ncccc12.CC(C)I.CC(C)[Sn]c1nn(C(C)C)c2ncccc12.CC(C)n1nc(Br)c2cccnc21.c1cnc2[nH]ncc2c1.
What is the InChIKey of 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?
The InChIKey is WKFRFJGKKRFHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3.C9H10N3.C6H4BrN3.C6H5N3.C3H7I.C3H7.Sn/c1-6(2)13-9-7(8(10)12-13)4-3-5-11-9;1-7(2)12-9-8(6-11-12)4-3-5-10-9;7-5-4-2-1-3-8-6(4)10-9-5;1-2-5-4-8-9-6(5)7-3-1;1-3(2)4;1-3-2;/h3-6H,1-2H3;3-5,7H,1-2H3;1-3H,(H,8,9,10);1-4H,(H,7,8,9);3H,1-2H3;3H,1-2H3;.
What are the key properties of 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?
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 has a molecular weight of 1049.25 g/mol, XLogP of 9.45, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167687357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).