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

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

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Launch Full Analysis

Related Compounds

1-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4,4-difluorocyclohexan-1-ol
CID 149066952
N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine
CID 151726288
2-[3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]phenyl]-2-methylpropanoic acid
CID 162781480
4-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol
CID 151675006
6-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-6-(3-hydroxyazetidin-1-yl)cyclohexa-2,4-diene-1-carbonitrile
CID 175020839
2-[4-[[4-[1-cyclopropyl-3-[2-fluoro-4-(oxan-4-yl)phenyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxetan-3-ol
CID 175483445
2-[3-[[4-(3-cyclobutyl-1-cyclopropylpyrazol-4-yl)oxy-2-pyridinyl]amino]phenyl]-2-methylpropanoic acid
CID 154975369
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
CID 162512313
2-[4-[[4-[3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 150140025
N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine
CID 150733617
2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine
CID 150825451
2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine
CID 121249435

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).