7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine

C27H24FN5O2S — CID 156552878

IUPAC7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine
SMILESFc1ccc(-n2cc(-c3cc4nccc(Oc5cn(C6CC6)nc5C5CCOCC5)c4s3)cn2)cc1
InChIInChI=1S/C27H24FN5O2S/c28-19-1-3-20(4-2-19)32-15-18(14-30-32)25-13-22-27(36-25)23(7-10-29-22)35-24-16-33(21-5-6-21)31-26(24)17-8-11-34-12-9-17/h1-4,7,10,13-17,21H,5-6,8-9,11-12H2
InChIKeyBBIJXFFJKYMFTA-UHFFFAOYSA-N
MW501.59 g/mol
LogP6.51
Rot. Bonds6

About 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine

7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine (PubChem CID 156552878) has the molecular formula C27H24FN5O2S and a molecular weight of 501.59 g/mol. Its IUPAC name is 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine
PubChem CID156552878
Molecular FormulaC27H24FN5O2S
Molecular Weight501.59 g/mol
Exact Mass501.16
IUPAC Name7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine
SMILESFc1ccc(-n2cc(-c3cc4nccc(Oc5cn(C6CC6)nc5C5CCOCC5)c4s3)cn2)cc1
InChIInChI=1S/C27H24FN5O2S/c28-19-1-3-20(4-2-19)32-15-18(14-30-32)25-13-22-27(36-25)23(7-10-29-22)35-24-16-33(21-5-6-21)31-26(24)17-8-11-34-12-9-17/h1-4,7,10,13-17,21H,5-6,8-9,11-12H2
InChIKeyBBIJXFFJKYMFTA-UHFFFAOYSA-N
XLogP6.51
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine
CID 156552887
2-[7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridin-2-yl]prop-2-en-1-imine
CID 156553638
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
CID 162512313
2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 172677123
2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline
CID 175737723
2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline
CID 175737761
2-(oxan-4-yloxy)-5-[2-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-b]pyridin-7-yl]benzonitrile
CID 71679363
2-bromo-4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1-(2-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 175190996
2-[4-[7-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl 2-morpholin-4-ylacetate
CID 167263557
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol
CID 163594460
3-fluoro-4-[2-[5-[4-(oxan-4-yl)butyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 123876146
7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
CID 141137493

Frequently Asked Questions

What is the IUPAC name of 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine (CID 156552878) is 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine is Fc1ccc(-n2cc(-c3cc4nccc(Oc5cn(C6CC6)nc5C5CCOCC5)c4s3)cn2)cc1.
What is the InChIKey of 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine?
The InChIKey is BBIJXFFJKYMFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2S/c28-19-1-3-20(4-2-19)32-15-18(14-30-32)25-13-22-27(36-25)23(7-10-29-22)35-24-16-33(21-5-6-21)31-26(24)17-8-11-34-12-9-17/h1-4,7,10,13-17,21H,5-6,8-9,11-12H2.
What are the key properties of 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine?
7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine has a molecular weight of 501.59 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 156552878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).