(2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C19H23F4N3O — CID 118420559

IUPAC(2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F
InChIInChI=1S/C19H23F4N3O/c1-11(2)8-19(3,24)10-27-16-9-26-14(7-13(16)17(20)21)12-4-5-25-15(6-12)18(22)23/h4-7,9,11,17-18H,8,10,24H2,1-3H3/t19-/m0/s1
InChIKeyHVHRHDHQHUAOQI-IBGZPJMESA-N
MW385.41 g/mol
LogP5.16
Rot. Bonds8

About (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420559) has the molecular formula C19H23F4N3O and a molecular weight of 385.41 g/mol. Its IUPAC name is (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118420559
Molecular FormulaC19H23F4N3O
Molecular Weight385.41 g/mol
Exact Mass385.18
IUPAC Name(2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F
InChIInChI=1S/C19H23F4N3O/c1-11(2)8-19(3,24)10-27-16-9-26-14(7-13(16)17(20)21)12-4-5-25-15(6-12)18(22)23/h4-7,9,11,17-18H,8,10,24H2,1-3H3/t19-/m0/s1
InChIKeyHVHRHDHQHUAOQI-IBGZPJMESA-N
XLogP5.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

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CID 118419773
Aqw-051
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3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
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5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
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3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-phenylamine
CID 44372111
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(4-trifluoromethyl-phenyl)-pyridine
CID 44372121
7-(5-Propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485797
7-(5-Phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485799
7-(5-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
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US10155760, Example 126
CID 118419759

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118420559) is (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is CC(C)C[C@](C)(N)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F.
What is the InChIKey of (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is HVHRHDHQHUAOQI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23F4N3O/c1-11(2)8-19(3,24)10-27-16-9-26-14(7-13(16)17(20)21)12-4-5-25-15(6-12)18(22)23/h4-7,9,11,17-18H,8,10,24H2,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 385.41 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).