2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C26H27FN6O2 — CID 155450796

IUPAC2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3CNc3ccccc3F)ccn2)ccn1
InChIInChI=1S/C26H27FN6O2/c1-26(2,34)24-13-17(9-11-28-24)31-25-14-19(10-12-29-25)35-23-16-33(18-7-8-18)32-22(23)15-30-21-6-4-3-5-20(21)27/h3-6,9-14,16,18,30,34H,7-8,15H2,1-2H3,(H,28,29,31)
InChIKeyGPLVKOVIJDWNBM-UHFFFAOYSA-N
MW474.54 g/mol
LogP5.52
Rot. Bonds9

About 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450796) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450796
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3CNc3ccccc3F)ccn2)ccn1
InChIInChI=1S/C26H27FN6O2/c1-26(2,34)24-13-17(9-11-28-24)31-25-14-19(10-12-29-25)35-23-16-33(18-7-8-18)32-22(23)15-30-21-6-4-3-5-20(21)27/h3-6,9-14,16,18,30,34H,7-8,15H2,1-2H3,(H,28,29,31)
InChIKeyGPLVKOVIJDWNBM-UHFFFAOYSA-N
XLogP5.52
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450796) is 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3CNc3ccccc3F)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is GPLVKOVIJDWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-26(2,34)24-13-17(9-11-28-24)31-25-14-19(10-12-29-25)35-23-16-33(18-7-8-18)32-22(23)15-30-21-6-4-3-5-20(21)27/h3-6,9-14,16,18,30,34H,7-8,15H2,1-2H3,(H,28,29,31).
What are the key properties of 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 474.54 g/mol, XLogP of 5.52, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).