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

C17H16ClFN4O2 — CID 166021325

IUPAC(2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol
SMILESN[C@H](CO)Cn1ccc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=1S/C17H16ClFN4O2/c18-12-7-15(19)17(21-8-12)25-14-3-1-11(2-4-14)16-5-6-23(22-16)9-13(20)10-24/h1-8,13,24H,9-10,20H2/t13-/m0/s1
InChIKeyNFMZFGJFKGRDBT-ZDUSSCGKSA-N
MW362.79 g/mol
LogP2.85
Rot. Bonds6

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

(2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol (PubChem CID 166021325) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol
PubChem CID166021325
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name(2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol
SMILESN[C@H](CO)Cn1ccc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=1S/C17H16ClFN4O2/c18-12-7-15(19)17(21-8-12)25-14-3-1-11(2-4-14)16-5-6-23(22-16)9-13(20)10-24/h1-8,13,24H,9-10,20H2/t13-/m0/s1
InChIKeyNFMZFGJFKGRDBT-ZDUSSCGKSA-N
XLogP2.85
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol (CID 166021325) is (2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol is N[C@H](CO)Cn1ccc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1.
What is the InChIKey of (2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol?
The InChIKey is NFMZFGJFKGRDBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c18-12-7-15(19)17(21-8-12)25-14-3-1-11(2-4-14)16-5-6-23(22-16)9-13(20)10-24/h1-8,13,24H,9-10,20H2/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol?
(2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol has a molecular weight of 362.79 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 166021325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).