N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine

C23H22F2N6O — CID 58174146

IUPACN-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine
SMILESCc1cc(Oc2cc(C(C)(F)F)ccn2)c(C)cc1CCNc1ncnc2nccnc12
InChIInChI=1S/C23H22F2N6O/c1-14-11-18(32-19-12-17(5-7-26-19)23(3,24)25)15(2)10-16(14)4-6-28-21-20-22(31-13-30-21)29-9-8-27-20/h5,7-13H,4,6H2,1-3H3,(H,28,29,30,31)
InChIKeyHTXYUSHNPSJZKY-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.99
Rot. Bonds7

About N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine

N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine (PubChem CID 58174146) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine
PubChem CID58174146
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC NameN-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine
SMILESCc1cc(Oc2cc(C(C)(F)F)ccn2)c(C)cc1CCNc1ncnc2nccnc12
InChIInChI=1S/C23H22F2N6O/c1-14-11-18(32-19-12-17(5-7-26-19)23(3,24)25)15(2)10-16(14)4-6-28-21-20-22(31-13-30-21)29-9-8-27-20/h5,7-13H,4,6H2,1-3H3,(H,28,29,30,31)
InChIKeyHTXYUSHNPSJZKY-UHFFFAOYSA-N
XLogP4.99
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine (CID 58174146) is N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine is Cc1cc(Oc2cc(C(C)(F)F)ccn2)c(C)cc1CCNc1ncnc2nccnc12.
What is the InChIKey of N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine?
The InChIKey is HTXYUSHNPSJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c1-14-11-18(32-19-12-17(5-7-26-19)23(3,24)25)15(2)10-16(14)4-6-28-21-20-22(31-13-30-21)29-9-8-27-20/h5,7-13H,4,6H2,1-3H3,(H,28,29,30,31).
What are the key properties of N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine?
N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine has a molecular weight of 436.47 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 58174146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).