N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine

C25H23FN6O — CID 156760042

IUPACN-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine
SMILESCc1nnc(-c2ccc(-c3cc(NCCn4c(C)cc5c(C)ccc(F)c54)ncn3)cc2)o1
InChIInChI=1S/C25H23FN6O/c1-15-4-9-21(26)24-20(15)12-16(2)32(24)11-10-27-23-13-22(28-14-29-23)18-5-7-19(8-6-18)25-31-30-17(3)33-25/h4-9,12-14H,10-11H2,1-3H3,(H,27,28,29)
InChIKeyZPXFJLPUOQJYFE-UHFFFAOYSA-N
MW442.50 g/mol
LogP5.32
Rot. Bonds6

About N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine

N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine (PubChem CID 156760042) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine
PubChem CID156760042
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC NameN-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine
SMILESCc1nnc(-c2ccc(-c3cc(NCCn4c(C)cc5c(C)ccc(F)c54)ncn3)cc2)o1
InChIInChI=1S/C25H23FN6O/c1-15-4-9-21(26)24-20(15)12-16(2)32(24)11-10-27-23-13-22(28-14-29-23)18-5-7-19(8-6-18)25-31-30-17(3)33-25/h4-9,12-14H,10-11H2,1-3H3,(H,27,28,29)
InChIKeyZPXFJLPUOQJYFE-UHFFFAOYSA-N
XLogP5.32
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-((2-Ethyl-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)methyl)phenyl)-5-(piperidin-4-yl)-1,3,4-oxadiazole
CID 68379135
N-[2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide
CID 10479082
2-[9-[3-(4,6-Diethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 62707567
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 118723483
N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040560
N-[2-[4-[[4-[5-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 127041836
N-[5-[5-[4-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042113
N-[5-[5-[4-[[4-(2-isothiocyanatoethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042115
N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042288
2-[4-[(2-Ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 145977076
5-(3-(4-(2-fluorophenyl)pyrimidin-2-yl)-1H-indol-5-yl)-1,3,4-oxadiazol-2-amine
CID 68328341
2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 68328682

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine (CID 156760042) is N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine is Cc1nnc(-c2ccc(-c3cc(NCCn4c(C)cc5c(C)ccc(F)c54)ncn3)cc2)o1.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine?
The InChIKey is ZPXFJLPUOQJYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-15-4-9-21(26)24-20(15)12-16(2)32(24)11-10-27-23-13-22(28-14-29-23)18-5-7-19(8-6-18)25-31-30-17(3)33-25/h4-9,12-14H,10-11H2,1-3H3,(H,27,28,29).
What are the key properties of N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine?
N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine has a molecular weight of 442.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 156760042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).