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

C24H27F3N6O2 — CID 162665216

IUPAC2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CN(CC(F)(F)F)C3)ccn2)ccn1
InChIInChI=1S/C24H27F3N6O2/c1-23(2,34)20-9-16(5-7-28-20)30-21-10-18(6-8-29-21)35-19-13-33(17-3-4-17)31-22(19)15-11-32(12-15)14-24(25,26)27/h5-10,13,15,17,34H,3-4,11-12,14H2,1-2H3,(H,28,29,30)
InChIKeyFJFHRKNVUHXQOM-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.73
Rot. Bonds8

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

2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 162665216) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID162665216
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC Name2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CN(CC(F)(F)F)C3)ccn2)ccn1
InChIInChI=1S/C24H27F3N6O2/c1-23(2,34)20-9-16(5-7-28-20)30-21-10-18(6-8-29-21)35-19-13-33(17-3-4-17)31-22(19)15-11-32(12-15)14-24(25,26)27/h5-10,13,15,17,34H,3-4,11-12,14H2,1-2H3,(H,28,29,30)
InChIKeyFJFHRKNVUHXQOM-UHFFFAOYSA-N
XLogP4.73
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 162665216) is 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CN(CC(F)(F)F)C3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is FJFHRKNVUHXQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c1-23(2,34)20-9-16(5-7-28-20)30-21-10-18(6-8-29-21)35-19-13-33(17-3-4-17)31-22(19)15-11-32(12-15)14-24(25,26)27/h5-10,13,15,17,34H,3-4,11-12,14H2,1-2H3,(H,28,29,30).
What are the key properties of 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 488.51 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 162665216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).