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

C21H19F2N9O — CID 169273987

IUPACN-(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
SMILESFc1cc2c(cc1F)CC(Nc1cnc(-c3nnc(N4CCC(c5cn[nH]n5)C4)o3)cn1)C2
InChIInChI=1S/C21H19F2N9O/c22-15-5-12-3-14(4-13(12)6-16(15)23)27-19-9-24-18(7-25-19)20-29-30-21(33-20)32-2-1-11(10-32)17-8-26-31-28-17/h5-9,11,14H,1-4,10H2,(H,25,27)(H,26,28,31)
InChIKeyASEUDVQKTZIQLK-UHFFFAOYSA-N
MW451.44 g/mol
LogP2.50
Rot. Bonds5

About 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

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 (PubChem CID 169273987) has the molecular formula C21H19F2N9O and a molecular weight of 451.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID169273987
Molecular FormulaC21H19F2N9O
Molecular Weight451.44 g/mol
Exact Mass451.17
IUPAC NameN-(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
SMILESFc1cc2c(cc1F)CC(Nc1cnc(-c3nnc(N4CCC(c5cn[nH]n5)C4)o3)cn1)C2
InChIInChI=1S/C21H19F2N9O/c22-15-5-12-3-14(4-13(12)6-16(15)23)27-19-9-24-18(7-25-19)20-29-30-21(33-20)32-2-1-11(10-32)17-8-26-31-28-17/h5-9,11,14H,1-4,10H2,(H,25,27)(H,26,28,31)
InChIKeyASEUDVQKTZIQLK-UHFFFAOYSA-N
XLogP2.50
TPSA121.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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-(1H-imidazol-5-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273864
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
4-[5-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]-1,3,4-oxadiazol-2-yl]-1-[3-(2H-triazol-4-yl)azetidin-1-yl]butan-1-one
CID 169273985
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
[4-[1-[5-[6-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 169273968
2-[1-[5-[2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-imidazol-2-yl]piperidin-4-yl]acetic acid
CID 170695471
5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[(3R)-3-(2H-triazol-4-yl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 54429967
2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 97192725
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine
CID 176894370

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cc2c(cc1F)CC(Nc1cnc(-c3nnc(N4CCC(c5cn[nH]n5)C4)o3)cn1)C2.
What is the InChIKey of 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?
The InChIKey is ASEUDVQKTZIQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N9O/c22-15-5-12-3-14(4-13(12)6-16(15)23)27-19-9-24-18(7-25-19)20-29-30-21(33-20)32-2-1-11(10-32)17-8-26-31-28-17/h5-9,11,14H,1-4,10H2,(H,25,27)(H,26,28,31).
What are the key properties of 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?
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 has a molecular weight of 451.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169273987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).