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

C18H18F3N5O2 — CID 155450815

IUPAC2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCn1nc(C(F)(F)F)cc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1
InChIInChI=1S/C18H18F3N5O2/c1-17(2,27)13-8-11(4-6-22-13)24-15-9-12(5-7-23-15)28-16-10-14(18(19,20)21)25-26(16)3/h4-10,27H,1-3H3,(H,22,23,24)
InChIKeyOZRRNLGEQHCOJV-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.99
Rot. Bonds5

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

2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450815) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450815
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCn1nc(C(F)(F)F)cc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1
InChIInChI=1S/C18H18F3N5O2/c1-17(2,27)13-8-11(4-6-22-13)24-15-9-12(5-7-23-15)28-16-10-14(18(19,20)21)25-26(16)3/h4-10,27H,1-3H3,(H,22,23,24)
InChIKeyOZRRNLGEQHCOJV-UHFFFAOYSA-N
XLogP3.99
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.99
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-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450815) is 2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is Cn1nc(C(F)(F)F)cc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1.
What is the InChIKey of 2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is OZRRNLGEQHCOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-17(2,27)13-8-11(4-6-22-13)24-15-9-12(5-7-23-15)28-16-10-14(18(19,20)21)25-26(16)3/h4-10,27H,1-3H3,(H,22,23,24).
What are the key properties of 2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 393.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).