(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine

C20H24F2N4O — CID 135284803

IUPAC(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccnn23)cc1C(F)F
InChIInChI=1S/C20H24F2N4O/c1-13(2)11-20(3,23)12-27-17-5-4-14(10-15(17)19(21)22)16-6-8-24-18-7-9-25-26(16)18/h4-10,13,19H,11-12,23H2,1-3H3/t20-/m0/s1
InChIKeyCKJNGEJAQQWVOA-FQEVSTJZSA-N
MW374.44 g/mol
LogP4.48
Rot. Bonds7

About (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine

(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine (PubChem CID 135284803) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
PubChem CID135284803
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccnn23)cc1C(F)F
InChIInChI=1S/C20H24F2N4O/c1-13(2)11-20(3,23)12-27-17-5-4-14(10-15(17)19(21)22)16-6-8-24-18-7-9-25-26(16)18/h4-10,13,19H,11-12,23H2,1-3H3/t20-/m0/s1
InChIKeyCKJNGEJAQQWVOA-FQEVSTJZSA-N
XLogP4.48
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine (CID 135284803) is (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine is CC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccnn23)cc1C(F)F.
What is the InChIKey of (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine?
The InChIKey is CKJNGEJAQQWVOA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-13(2)11-20(3,23)12-27-17-5-4-14(10-15(17)19(21)22)16-6-8-24-18-7-9-25-26(16)18/h4-10,13,19H,11-12,23H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine has a molecular weight of 374.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 135284803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).