2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C19H20F3N5O2 — CID 155450810

IUPAC2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCCn1nc(C(F)(F)F)cc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1
InChIInChI=1S/C19H20F3N5O2/c1-4-27-17(11-15(26-27)19(20,21)22)29-13-6-8-24-16(10-13)25-12-5-7-23-14(9-12)18(2,3)28/h5-11,28H,4H2,1-3H3,(H,23,24,25)
InChIKeyWCRVXRGOZKYVPV-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.48
Rot. Bonds6

About 2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450810) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450810
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCCn1nc(C(F)(F)F)cc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1
InChIInChI=1S/C19H20F3N5O2/c1-4-27-17(11-15(26-27)19(20,21)22)29-13-6-8-24-16(10-13)25-12-5-7-23-14(9-12)18(2,3)28/h5-11,28H,4H2,1-3H3,(H,23,24,25)
InChIKeyWCRVXRGOZKYVPV-UHFFFAOYSA-N
XLogP4.48
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.48
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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450810) is 2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CCn1nc(C(F)(F)F)cc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1.
What is the InChIKey of 2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is WCRVXRGOZKYVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-4-27-17(11-15(26-27)19(20,21)22)29-13-6-8-24-16(10-13)25-12-5-7-23-14(9-12)18(2,3)28/h5-11,28H,4H2,1-3H3,(H,23,24,25).
What are the key properties of 2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 407.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).