N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine

C22H20F2N6O2 — CID 51000642

IUPACN-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESCOc1cc(C(C)(F)F)cc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)n1
InChIInChI=1S/C22H20F2N6O2/c1-22(23,24)15-11-17(31-2)30-18(12-15)32-16-5-3-14(4-6-16)7-8-26-20-19-21(29-13-28-20)27-10-9-25-19/h3-6,9-13H,7-8H2,1-2H3,(H,26,27,28,29)
InChIKeyRLLQUSVJKIRIBW-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.38
Rot. Bonds8

About N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine

N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (PubChem CID 51000642) has the molecular formula C22H20F2N6O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
PubChem CID51000642
Molecular FormulaC22H20F2N6O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC NameN-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESCOc1cc(C(C)(F)F)cc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)n1
InChIInChI=1S/C22H20F2N6O2/c1-22(23,24)15-11-17(31-2)30-18(12-15)32-16-5-3-14(4-6-16)7-8-26-20-19-21(29-13-28-20)27-10-9-25-19/h3-6,9-13H,7-8H2,1-2H3,(H,26,27,28,29)
InChIKeyRLLQUSVJKIRIBW-UHFFFAOYSA-N
XLogP4.38
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine;N-[2-[4-[4-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-yl]oxyphenyl]ethyl]pteridin-4-amine
CID 159535284
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
N-[2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174220
N-[2-[4-[(3,5,6-trifluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174056
N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174143
N-[2-[4-[[2-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174236
N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174262
N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338071
N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine
CID 58174286
N-[2-[3-propoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174065
6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174092
5-chloro-6-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982854

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (CID 51000642) is N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is COc1cc(C(C)(F)F)cc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)n1.
What is the InChIKey of N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The InChIKey is RLLQUSVJKIRIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2/c1-22(23,24)15-11-17(31-2)30-18(12-15)32-16-5-3-14(4-6-16)7-8-26-20-19-21(29-13-28-20)27-10-9-25-19/h3-6,9-13H,7-8H2,1-2H3,(H,26,27,28,29).
What are the key properties of N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine has a molecular weight of 438.44 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 51000642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).