3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol

C24H26F3N5O3 — CID 162663996

IUPAC3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(O)(C(F)(F)F)C3)ccn2)ccn1
InChIInChI=1S/C24H26F3N5O3/c1-22(2,33)19-9-15(5-7-28-19)30-20-10-17(6-8-29-20)35-18-13-32(16-3-4-16)31-21(18)14-11-23(34,12-14)24(25,26)27/h5-10,13-14,16,33-34H,3-4,11-12H2,1-2H3,(H,28,29,30)
InChIKeyDCPVGYPVHKELMX-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.94
Rot. Bonds7

About 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol

3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 162663996) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID162663996
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(O)(C(F)(F)F)C3)ccn2)ccn1
InChIInChI=1S/C24H26F3N5O3/c1-22(2,33)19-9-15(5-7-28-19)30-20-10-17(6-8-29-20)35-18-13-32(16-3-4-16)31-21(18)14-11-23(34,12-14)24(25,26)27/h5-10,13-14,16,33-34H,3-4,11-12H2,1-2H3,(H,28,29,30)
InChIKeyDCPVGYPVHKELMX-UHFFFAOYSA-N
XLogP4.94
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol (CID 162663996) is 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(O)(C(F)(F)F)C3)ccn2)ccn1.
What is the InChIKey of 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is DCPVGYPVHKELMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-22(2,33)19-9-15(5-7-28-19)30-20-10-17(6-8-29-20)35-18-13-32(16-3-4-16)31-21(18)14-11-23(34,12-14)24(25,26)27/h5-10,13-14,16,33-34H,3-4,11-12H2,1-2H3,(H,28,29,30).
What are the key properties of 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol?
3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 489.50 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 162663996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).