4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile

C24H18FN9O — CID 123790216

IUPAC4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCc1nnc(-c2c(-c3ccccn3)c(CCNc3ncnc(N)c3C#N)nc3ccc(F)cc23)o1
InChIInChI=1S/C24H18FN9O/c1-13-33-34-24(35-13)20-15-10-14(25)5-6-17(15)32-19(21(20)18-4-2-3-8-28-18)7-9-29-23-16(11-26)22(27)30-12-31-23/h2-6,8,10,12H,7,9H2,1H3,(H3,27,29,30,31)
InChIKeyAJRYGKLPVUSOKY-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.69
Rot. Bonds6

About 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 123790216) has the molecular formula C24H18FN9O and a molecular weight of 467.47 g/mol. Its IUPAC name is 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID123790216
Molecular FormulaC24H18FN9O
Molecular Weight467.47 g/mol
Exact Mass467.16
IUPAC Name4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCc1nnc(-c2c(-c3ccccn3)c(CCNc3ncnc(N)c3C#N)nc3ccc(F)cc23)o1
InChIInChI=1S/C24H18FN9O/c1-13-33-34-24(35-13)20-15-10-14(25)5-6-17(15)32-19(21(20)18-4-2-3-8-28-18)7-9-29-23-16(11-26)22(27)30-12-31-23/h2-6,8,10,12H,7,9H2,1H3,(H3,27,29,30,31)
InChIKeyAJRYGKLPVUSOKY-UHFFFAOYSA-N
XLogP3.69
TPSA152.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

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-[5-[5-[4-[[4-(2-isothiocyanatoethyl)piperazin-1-yl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042116
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-Fluoro-3-(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71449524
2-[4-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71451316
N-[2-methyl-5-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040242
N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040243
N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040574
N-[5-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040575

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile (CID 123790216) is 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile is Cc1nnc(-c2c(-c3ccccn3)c(CCNc3ncnc(N)c3C#N)nc3ccc(F)cc23)o1.
What is the InChIKey of 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is AJRYGKLPVUSOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN9O/c1-13-33-34-24(35-13)20-15-10-14(25)5-6-17(15)32-19(21(20)18-4-2-3-8-28-18)7-9-29-23-16(11-26)22(27)30-12-31-23/h2-6,8,10,12H,7,9H2,1H3,(H3,27,29,30,31).
What are the key properties of 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 467.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 123790216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).