1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine

C24H22F4N8O2 — CID 25070129

IUPAC1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine
SMILESCN(C)c1cc(Nc2ccc(-c3nnc(-c4ncc(F)c(N5CCOCC5)n4)o3)nc2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H22F4N8O2/c1-35(2)17-10-14(24(26,27)28)9-16(11-17)31-15-3-4-19(29-12-15)22-33-34-23(38-22)20-30-13-18(25)21(32-20)36-5-7-37-8-6-36/h3-4,9-13,31H,5-8H2,1-2H3
InChIKeyOXAVPWRWYBHPTN-UHFFFAOYSA-N
MW530.49 g/mol
LogP4.39
Rot. Bonds6

About 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine

1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 25070129) has the molecular formula C24H22F4N8O2 and a molecular weight of 530.49 g/mol. Its IUPAC name is 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine
PubChem CID25070129
Molecular FormulaC24H22F4N8O2
Molecular Weight530.49 g/mol
Exact Mass530.18
IUPAC Name1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine
SMILESCN(C)c1cc(Nc2ccc(-c3nnc(-c4ncc(F)c(N5CCOCC5)n4)o3)nc2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H22F4N8O2/c1-35(2)17-10-14(24(26,27)28)9-16(11-17)31-15-3-4-19(29-12-15)22-33-34-23(38-22)20-30-13-18(25)21(32-20)36-5-7-37-8-6-36/h3-4,9-13,31H,5-8H2,1-2H3
InChIKeyOXAVPWRWYBHPTN-UHFFFAOYSA-N
XLogP4.39
TPSA105.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine?
The IUPAC name of 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine (CID 25070129) is 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine is CN(C)c1cc(Nc2ccc(-c3nnc(-c4ncc(F)c(N5CCOCC5)n4)o3)nc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine?
The InChIKey is OXAVPWRWYBHPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N8O2/c1-35(2)17-10-14(24(26,27)28)9-16(11-17)31-15-3-4-19(29-12-15)22-33-34-23(38-22)20-30-13-18(25)21(32-20)36-5-7-37-8-6-36/h3-4,9-13,31H,5-8H2,1-2H3.
What are the key properties of 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine?
1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 530.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 25070129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).