3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile

C25H25N7O2 — CID 151105982

IUPAC3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile
SMILESCC(C)(O)Cn1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3cccc(C#N)c3)ccn2)cn1
InChIInChI=1S/C25H25N7O2/c1-25(2,33)16-31-14-19(13-28-31)29-23-11-21(8-9-27-23)34-22-15-32(20-6-7-20)30-24(22)18-5-3-4-17(10-18)12-26/h3-5,8-11,13-15,20,33H,6-7,16H2,1-2H3,(H,27,29)
InChIKeyMPCRDYAAPUMNRG-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.65
Rot. Bonds8

About 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile

3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile (PubChem CID 151105982) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile
PubChem CID151105982
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile
SMILESCC(C)(O)Cn1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3cccc(C#N)c3)ccn2)cn1
InChIInChI=1S/C25H25N7O2/c1-25(2,33)16-31-14-19(13-28-31)29-23-11-21(8-9-27-23)34-22-15-32(20-6-7-20)30-24(22)18-5-3-4-17(10-18)12-26/h3-5,8-11,13-15,20,33H,6-7,16H2,1-2H3,(H,27,29)
InChIKeyMPCRDYAAPUMNRG-UHFFFAOYSA-N
XLogP4.65
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid
CID 154975529
2-[3-[[4-(3-cyclobutyl-1-cyclopropylpyrazol-4-yl)oxy-2-pyridinyl]amino]phenyl]-2-methylpropanoic acid
CID 154975369
2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
CID 147277185
2-[3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]phenyl]-2-methylpropanoic acid
CID 162781480
N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine
CID 150733617
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-[4-[[4-[3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 150140025
2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol
CID 163965353
3-[6-[[1-(fluoromethyl)pyrazol-4-yl]-dihydroxymethyl]-3-methoxy-2-pyridinyl]benzonitrile
CID 155715317
1-[1-tert-butyl-3-(3-cyanophenyl)pyrazol-4-yl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69297731
1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 91086004
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile?
The IUPAC name of 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile (CID 151105982) is 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile.
What is the SMILES notation for 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile?
The canonical SMILES for 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile is CC(C)(O)Cn1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3cccc(C#N)c3)ccn2)cn1.
What is the InChIKey of 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile?
The InChIKey is MPCRDYAAPUMNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-25(2,33)16-31-14-19(13-28-31)29-23-11-21(8-9-27-23)34-22-15-32(20-6-7-20)30-24(22)18-5-3-4-17(10-18)12-26/h3-5,8-11,13-15,20,33H,6-7,16H2,1-2H3,(H,27,29).
What are the key properties of 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile?
3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile has a molecular weight of 455.52 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile is sourced from PubChem (CID 151105982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).