2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile

C26H27FN6O2 — CID 175483482

IUPAC2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile
SMILESN#CC1CNC1c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccc1F
InChIInChI=1S/C26H27FN6O2/c27-22-4-1-18(11-21(22)25-17(13-28)14-30-25)31-24-12-20(5-8-29-24)35-23-15-33(19-2-3-19)32-26(23)16-6-9-34-10-7-16/h1,4-5,8,11-12,15-17,19,25,30H,2-3,6-7,9-10,14H2,(H,29,31)
InChIKeyHQORKJZVLMDKNF-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.97
Rot. Bonds7

About 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile

2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile (PubChem CID 175483482) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile
PubChem CID175483482
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile
SMILESN#CC1CNC1c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccc1F
InChIInChI=1S/C26H27FN6O2/c27-22-4-1-18(11-21(22)25-17(13-28)14-30-25)31-24-12-20(5-8-29-24)35-23-15-33(19-2-3-19)32-26(23)16-6-9-34-10-7-16/h1,4-5,8,11-12,15-17,19,25,30H,2-3,6-7,9-10,14H2,(H,29,31)
InChIKeyHQORKJZVLMDKNF-UHFFFAOYSA-N
XLogP4.97
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile?
The IUPAC name of 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile (CID 175483482) is 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile.
What is the SMILES notation for 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile?
The canonical SMILES for 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile is N#CC1CNC1c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccc1F.
What is the InChIKey of 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile?
The InChIKey is HQORKJZVLMDKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c27-22-4-1-18(11-21(22)25-17(13-28)14-30-25)31-24-12-20(5-8-29-24)35-23-15-33(19-2-3-19)32-26(23)16-6-9-34-10-7-16/h1,4-5,8,11-12,15-17,19,25,30H,2-3,6-7,9-10,14H2,(H,29,31).
What are the key properties of 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile?
2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile has a molecular weight of 474.54 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile is sourced from PubChem (CID 175483482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).