N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

C21H20FN9O — CID 169273981

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFc1ccc2c(c1)CC(Nc1ncc(-c3nnc(N4CCC(c5cn[nH]n5)C4)o3)cn1)C2
InChIInChI=1S/C21H20FN9O/c22-16-2-1-12-6-17(7-14(12)5-16)26-20-23-8-15(9-24-20)19-28-29-21(32-19)31-4-3-13(11-31)18-10-25-30-27-18/h1-2,5,8-10,13,17H,3-4,6-7,11H2,(H,23,24,26)(H,25,27,30)
InChIKeyRVBNTKLPTZYGGP-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.36
Rot. Bonds5

About N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 169273981) has the molecular formula C21H20FN9O and a molecular weight of 433.45 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID169273981
Molecular FormulaC21H20FN9O
Molecular Weight433.45 g/mol
Exact Mass433.18
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFc1ccc2c(c1)CC(Nc1ncc(-c3nnc(N4CCC(c5cn[nH]n5)C4)o3)cn1)C2
InChIInChI=1S/C21H20FN9O/c22-16-2-1-12-6-17(7-14(12)5-16)26-20-23-8-15(9-24-20)19-28-29-21(32-19)31-4-3-13(11-31)18-10-25-30-27-18/h1-2,5,8-10,13,17H,3-4,6-7,11H2,(H,23,24,26)(H,25,27,30)
InChIKeyRVBNTKLPTZYGGP-UHFFFAOYSA-N
XLogP2.36
TPSA121.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273871
N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 169273987
N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273864
N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-fluoro-3-(2H-triazol-4-yl)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 174173708
methyl 1-[5-[2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3-carboxylate
CID 169273943
1-[5-[2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidine-3-carboxylic acid
CID 169273963
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine
CID 176894456
[4-[1-[5-[2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 169274014
N-[(3,5-difluorophenyl)methyl]-5-[5-[3-methyl-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273972
2-[5-[2-[[5-(1-methylazetidin-3-yl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
CID 167377288
[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate
CID 175289369
[4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 169273887

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 169273981) is N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is Fc1ccc2c(c1)CC(Nc1ncc(-c3nnc(N4CCC(c5cn[nH]n5)C4)o3)cn1)C2.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is RVBNTKLPTZYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN9O/c22-16-2-1-12-6-17(7-14(12)5-16)26-20-23-8-15(9-24-20)19-28-29-21(32-19)31-4-3-13(11-31)18-10-25-30-27-18/h1-2,5,8-10,13,17H,3-4,6-7,11H2,(H,23,24,26)(H,25,27,30).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 433.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 169273981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).