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

C25H24FN5O2 — CID 162672288

IUPAC2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(F)cc3)ccn2)ccn1
InChIInChI=1S/C25H24FN5O2/c1-25(2,32)22-13-18(9-11-27-22)29-23-14-20(10-12-28-23)33-21-15-31(19-7-8-19)30-24(21)16-3-5-17(26)6-4-16/h3-6,9-15,19,32H,7-8H2,1-2H3,(H,27,28,29)
InChIKeyHJQWPLBBUAVDBM-UHFFFAOYSA-N
MW445.50 g/mol
LogP5.58
Rot. Bonds7

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

2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 162672288) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID162672288
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(F)cc3)ccn2)ccn1
InChIInChI=1S/C25H24FN5O2/c1-25(2,32)22-13-18(9-11-27-22)29-23-14-20(10-12-28-23)33-21-15-31(19-7-8-19)30-24(21)16-3-5-17(26)6-4-16/h3-6,9-15,19,32H,7-8H2,1-2H3,(H,27,28,29)
InChIKeyHJQWPLBBUAVDBM-UHFFFAOYSA-N
XLogP5.58
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 162672288) is 2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(F)cc3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is HJQWPLBBUAVDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-25(2,32)22-13-18(9-11-27-22)29-23-14-20(10-12-28-23)33-21-15-31(19-7-8-19)30-24(21)16-3-5-17(26)6-4-16/h3-6,9-15,19,32H,7-8H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 445.50 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 162672288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).