[5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium

C16H13BrFN4OTl — CID 144697465

IUPAC[5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium
SMILESFc1cc2c(cc1Br)c(-c1ccnc(N3CCOCC3)c1)nn2[Tl]
InChIInChI=1S/C16H13BrFN4O.Tl/c17-12-8-11-14(9-13(12)18)20-21-16(11)10-1-2-19-15(7-10)22-3-5-23-6-4-22;/h1-2,7-9H,3-6H2;/q-1;+1
InChIKeyXSINIBONPIDSFS-UHFFFAOYSA-N
MW580.59 g/mol
LogP2.77
Rot. Bonds2

About [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium

[5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium (PubChem CID 144697465) has the molecular formula C16H13BrFN4OTl and a molecular weight of 580.59 g/mol. Its IUPAC name is [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium.

Molecular Properties

Compound Name[5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium
PubChem CID144697465
Molecular FormulaC16H13BrFN4OTl
Molecular Weight580.59 g/mol
Exact Mass580.00
IUPAC Name[5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium
SMILESFc1cc2c(cc1Br)c(-c1ccnc(N3CCOCC3)c1)nn2[Tl]
InChIInChI=1S/C16H13BrFN4O.Tl/c17-12-8-11-14(9-13(12)18)20-21-16(11)10-1-2-19-15(7-10)22-3-5-23-6-4-22;/h1-2,7-9H,3-6H2;/q-1;+1
InChIKeyXSINIBONPIDSFS-UHFFFAOYSA-N
XLogP2.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.59
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium with MolForge

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Related Compounds

4-(4-(1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 85472857
3-(3-Bromo-phenyl)-1-methyl-4-(6-morpholin-4-yl-pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 44393176
[3-(2-Aminopyrimidin-4-yl)-5-bromoindol-1-yl]-morpholin-4-ylmethanone
CID 76314850
4-[5-Bromo-1-(2-methoxyethyl)indol-3-yl]pyrimidin-2-amine
CID 58221748
US10954240, Example 3
CID 118930309
4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
CID 162423101
1-Benzyl-3-(3-bromo-phenyl)-4-(6-morpholin-4-yl-pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 44393160
US10954240, Example 1
CID 118917375
US10954240, Example 19
CID 118917379
US10954240, Example 2
CID 118930305
US20240018151, Example 3
CID 163266583
3-Bromo-5-(4-fluorophenyl)-6-(2-morpholinoethyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 1478144

Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium?
The IUPAC name of [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium (CID 144697465) is [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium.
What is the SMILES notation for [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium?
The canonical SMILES for [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium is Fc1cc2c(cc1Br)c(-c1ccnc(N3CCOCC3)c1)nn2[Tl].
What is the InChIKey of [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium?
The InChIKey is XSINIBONPIDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN4O.Tl/c17-12-8-11-14(9-13(12)18)20-21-16(11)10-1-2-19-15(7-10)22-3-5-23-6-4-22;/h1-2,7-9H,3-6H2;/q-1;+1.
What are the key properties of [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium?
[5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium has a molecular weight of 580.59 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium is sourced from PubChem (CID 144697465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).