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

C18H18ClFN4O2 — CID 167188366

IUPAC(2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol
SMILESC[C@](N)(CO)Cn1ccc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=1S/C18H18ClFN4O2/c1-18(21,11-25)10-24-7-6-16(23-24)12-2-4-14(5-3-12)26-17-15(20)8-13(19)9-22-17/h2-9,25H,10-11,21H2,1H3/t18-/m1/s1
InChIKeyVMTSFJYMXUWCAT-GOSISDBHSA-N
MW376.82 g/mol
LogP3.24
Rot. Bonds6

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

(2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 167188366) has the molecular formula C18H18ClFN4O2 and a molecular weight of 376.82 g/mol. Its IUPAC name is (2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID167188366
Molecular FormulaC18H18ClFN4O2
Molecular Weight376.82 g/mol
Exact Mass376.11
IUPAC Name(2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol
SMILESC[C@](N)(CO)Cn1ccc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=1S/C18H18ClFN4O2/c1-18(21,11-25)10-24-7-6-16(23-24)12-2-4-14(5-3-12)26-17-15(20)8-13(19)9-22-17/h2-9,25H,10-11,21H2,1H3/t18-/m1/s1
InChIKeyVMTSFJYMXUWCAT-GOSISDBHSA-N
XLogP3.24
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of (2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol (CID 167188366) is (2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol is C[C@](N)(CO)Cn1ccc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1.
What is the InChIKey of (2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is VMTSFJYMXUWCAT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18ClFN4O2/c1-18(21,11-25)10-24-7-6-16(23-24)12-2-4-14(5-3-12)26-17-15(20)8-13(19)9-22-17/h2-9,25H,10-11,21H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol?
(2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 376.82 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 167188366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).