2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine

C25H27N5O2S — CID 156552887

IUPAC2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine
SMILESc1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2sc(-c3cnn(C4CCC4)c3)cc2n1
InChIInChI=1S/C25H27N5O2S/c1-2-18(3-1)29-14-17(13-27-29)23-12-20-25(33-23)21(6-9-26-20)32-22-15-30(19-4-5-19)28-24(22)16-7-10-31-11-8-16/h6,9,12-16,18-19H,1-5,7-8,10-11H2
InChIKeyWYGLHACDAHRQBU-UHFFFAOYSA-N
MW461.59 g/mol
LogP6.10
Rot. Bonds6

About 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine

2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine (PubChem CID 156552887) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine
PubChem CID156552887
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine
SMILESc1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2sc(-c3cnn(C4CCC4)c3)cc2n1
InChIInChI=1S/C25H27N5O2S/c1-2-18(3-1)29-14-17(13-27-29)23-12-20-25(33-23)21(6-9-26-20)32-22-15-30(19-4-5-19)28-24(22)16-7-10-31-11-8-16/h6,9,12-16,18-19H,1-5,7-8,10-11H2
InChIKeyWYGLHACDAHRQBU-UHFFFAOYSA-N
XLogP6.10
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine?
The IUPAC name of 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine (CID 156552887) is 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine.
What is the SMILES notation for 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine?
The canonical SMILES for 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine is c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2sc(-c3cnn(C4CCC4)c3)cc2n1.
What is the InChIKey of 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine?
The InChIKey is WYGLHACDAHRQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-2-18(3-1)29-14-17(13-27-29)23-12-20-25(33-23)21(6-9-26-20)32-22-15-30(19-4-5-19)28-24(22)16-7-10-31-11-8-16/h6,9,12-16,18-19H,1-5,7-8,10-11H2.
What are the key properties of 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine?
2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine has a molecular weight of 461.59 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine is sourced from PubChem (CID 156552887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).