(4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C19H23F2N5O — CID 135284477

IUPAC(4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESC[C@H](COc1ccc(-c2ccnc3ccnn23)nc1C(F)F)CC(C)(C)N
InChIInChI=1S/C19H23F2N5O/c1-12(10-19(2,3)22)11-27-15-5-4-13(25-17(15)18(20)21)14-6-8-23-16-7-9-24-26(14)16/h4-9,12,18H,10-11,22H2,1-3H3/t12-/m0/s1
InChIKeyAGDZTCLACPLXJJ-LBPRGKRZSA-N
MW375.42 g/mol
LogP3.87
Rot. Bonds7

About (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 135284477) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID135284477
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC Name(4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESC[C@H](COc1ccc(-c2ccnc3ccnn23)nc1C(F)F)CC(C)(C)N
InChIInChI=1S/C19H23F2N5O/c1-12(10-19(2,3)22)11-27-15-5-4-13(25-17(15)18(20)21)14-6-8-23-16-7-9-24-26(14)16/h4-9,12,18H,10-11,22H2,1-3H3/t12-/m0/s1
InChIKeyAGDZTCLACPLXJJ-LBPRGKRZSA-N
XLogP3.87
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 135284477) is (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is C[C@H](COc1ccc(-c2ccnc3ccnn23)nc1C(F)F)CC(C)(C)N.
What is the InChIKey of (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is AGDZTCLACPLXJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23F2N5O/c1-12(10-19(2,3)22)11-27-15-5-4-13(25-17(15)18(20)21)14-6-8-23-16-7-9-24-26(14)16/h4-9,12,18H,10-11,22H2,1-3H3/t12-/m0/s1.
What are the key properties of (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 375.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 135284477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).