N-(5,6-difluoro-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

C20H16F3N9O — CID 169273912

IUPACN-(5,6-difluoro-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
SMILESFc1cc2c(cc1F)CC(Nc1ncc(-c3nnc(N4CC(F)(c5cn[nH]n5)C4)o3)cn1)C2
InChIInChI=1S/C20H16F3N9O/c21-14-3-10-1-13(2-11(10)4-15(14)22)27-18-24-5-12(6-25-18)17-29-30-19(33-17)32-8-20(23,9-32)16-7-26-31-28-16/h3-7,13H,1-2,8-9H2,(H,24,25,27)(H,26,28,31)
InChIKeyFKIDBXMTFCJWEF-UHFFFAOYSA-N
MW455.40 g/mol
LogP2.19
Rot. Bonds5

About N-(5,6-difluoro-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

N-(5,6-difluoro-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 (PubChem CID 169273912) has the molecular formula C20H16F3N9O and a molecular weight of 455.40 g/mol. Its IUPAC name is N-(5,6-difluoro-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.

Molecular Properties

Compound NameN-(5,6-difluoro-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
PubChem CID169273912
Molecular FormulaC20H16F3N9O
Molecular Weight455.40 g/mol
Exact Mass455.14
IUPAC NameN-(5,6-difluoro-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
SMILESFc1cc2c(cc1F)CC(Nc1ncc(-c3nnc(N4CC(F)(c5cn[nH]n5)C4)o3)cn1)C2
InChIInChI=1S/C20H16F3N9O/c21-14-3-10-1-13(2-11(10)4-15(14)22)27-18-24-5-12(6-25-18)17-29-30-19(33-17)32-8-20(23,9-32)16-7-26-31-28-16/h3-7,13H,1-2,8-9H2,(H,24,25,27)(H,26,28,31)
InChIKeyFKIDBXMTFCJWEF-UHFFFAOYSA-N
XLogP2.19
TPSA121.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(5,6-difluoro-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-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?
The IUPAC name of N-(5,6-difluoro-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 169273912) is N-(5,6-difluoro-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.
What is the SMILES notation for N-(5,6-difluoro-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?
The canonical SMILES for N-(5,6-difluoro-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 is Fc1cc2c(cc1F)CC(Nc1ncc(-c3nnc(N4CC(F)(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-fluoro-3-(2H-triazol-4-yl)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is FKIDBXMTFCJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N9O/c21-14-3-10-1-13(2-11(10)4-15(14)22)27-18-24-5-12(6-25-18)17-29-30-19(33-17)32-8-20(23,9-32)16-7-26-31-28-16/h3-7,13H,1-2,8-9H2,(H,24,25,27)(H,26,28,31).
What are the key properties of N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-fluoro-3-(2H-triazol-4-yl)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-(5,6-difluoro-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 has a molecular weight of 455.40 g/mol, XLogP of 2.19, 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-fluoro-3-(2H-triazol-4-yl)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 169273912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).