7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine

C19H21BrN4OS — CID 156710451

IUPAC7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine
SMILESBrc1cc(N2CCCC2)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C19H21BrN4OS/c20-13-11-17(23-8-2-3-9-23)22-14-12-16(26-19(13)14)15-6-7-21-24(15)18-5-1-4-10-25-18/h6-7,11-12,18H,1-5,8-10H2
InChIKeyMFKLALBDIJLLGZ-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.22
Rot. Bonds3

About 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine

7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine (PubChem CID 156710451) has the molecular formula C19H21BrN4OS and a molecular weight of 433.38 g/mol. Its IUPAC name is 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine
PubChem CID156710451
Molecular FormulaC19H21BrN4OS
Molecular Weight433.38 g/mol
Exact Mass432.06
IUPAC Name7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine
SMILESBrc1cc(N2CCCC2)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C19H21BrN4OS/c20-13-11-17(23-8-2-3-9-23)22-14-12-16(26-19(13)14)15-6-7-21-24(15)18-5-1-4-10-25-18/h6-7,11-12,18H,1-5,8-10H2
InChIKeyMFKLALBDIJLLGZ-UHFFFAOYSA-N
XLogP5.22
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine?
The IUPAC name of 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine (CID 156710451) is 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine?
The canonical SMILES for 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine is Brc1cc(N2CCCC2)nc2cc(-c3ccnn3C3CCCCO3)sc12.
What is the InChIKey of 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine?
The InChIKey is MFKLALBDIJLLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4OS/c20-13-11-17(23-8-2-3-9-23)22-14-12-16(26-19(13)14)15-6-7-21-24(15)18-5-1-4-10-25-18/h6-7,11-12,18H,1-5,8-10H2.
What are the key properties of 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine?
7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine has a molecular weight of 433.38 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-5-pyrrolidin-1-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 156710451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).