(2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol

C20H19FN6O2 — CID 166021410

IUPAC(2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol
SMILESN[C@H](CO)Cn1ccc(-c2ccc(Oc3ncc(-c4ccn[nH]4)cc3F)cc2)n1
InChIInChI=1S/C20H19FN6O2/c21-17-9-14(18-5-7-24-25-18)10-23-20(17)29-16-3-1-13(2-4-16)19-6-8-27(26-19)11-15(22)12-28/h1-10,15,28H,11-12,22H2,(H,24,25)/t15-/m0/s1
InChIKeyNQHGXSVGARINPB-HNNXBMFYSA-N
MW394.41 g/mol
LogP2.59
Rot. Bonds7

About (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol

(2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol (PubChem CID 166021410) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol
PubChem CID166021410
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name(2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol
SMILESN[C@H](CO)Cn1ccc(-c2ccc(Oc3ncc(-c4ccn[nH]4)cc3F)cc2)n1
InChIInChI=1S/C20H19FN6O2/c21-17-9-14(18-5-7-24-25-18)10-23-20(17)29-16-3-1-13(2-4-16)19-6-8-27(26-19)11-15(22)12-28/h1-10,15,28H,11-12,22H2,(H,24,25)/t15-/m0/s1
InChIKeyNQHGXSVGARINPB-HNNXBMFYSA-N
XLogP2.59
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol (CID 166021410) is (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol is N[C@H](CO)Cn1ccc(-c2ccc(Oc3ncc(-c4ccn[nH]4)cc3F)cc2)n1.
What is the InChIKey of (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol?
The InChIKey is NQHGXSVGARINPB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-17-9-14(18-5-7-24-25-18)10-23-20(17)29-16-3-1-13(2-4-16)19-6-8-27(26-19)11-15(22)12-28/h1-10,15,28H,11-12,22H2,(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol?
(2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol has a molecular weight of 394.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-[4-[[3-fluoro-5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 166021410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).