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

C22H25F3N6O2 — CID 155450822

IUPAC2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCNCC3)ccn2)ccn1
InChIInChI=1S/C22H25F3N6O2/c1-21(2,32)17-11-14(3-9-27-17)29-19-12-16(6-10-28-19)33-20-13-18(22(23,24)25)30-31(20)15-4-7-26-8-5-15/h3,6,9-13,15,26,32H,4-5,7-8H2,1-2H3,(H,27,28,29)
InChIKeyDEWYMZNHYUNCAV-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.38
Rot. Bonds6

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

2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450822) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is 2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450822
Molecular FormulaC22H25F3N6O2
Molecular Weight462.48 g/mol
Exact Mass462.20
IUPAC Name2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCNCC3)ccn2)ccn1
InChIInChI=1S/C22H25F3N6O2/c1-21(2,32)17-11-14(3-9-27-17)29-19-12-16(6-10-28-19)33-20-13-18(22(23,24)25)30-31(20)15-4-7-26-8-5-15/h3,6,9-13,15,26,32H,4-5,7-8H2,1-2H3,(H,27,28,29)
InChIKeyDEWYMZNHYUNCAV-UHFFFAOYSA-N
XLogP4.38
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450822) is 2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCNCC3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is DEWYMZNHYUNCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O2/c1-21(2,32)17-11-14(3-9-27-17)29-19-12-16(6-10-28-19)33-20-13-18(22(23,24)25)30-31(20)15-4-7-26-8-5-15/h3,6,9-13,15,26,32H,4-5,7-8H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 462.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).