N-(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

C20H18FN9O — CID 169273902

IUPACN-(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
SMILESFC1(c2cn[nH]n2)CN(c2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)C1
InChIInChI=1S/C20H18FN9O/c21-20(16-9-24-29-26-16)10-30(11-20)19-28-27-17(31-19)14-7-22-18(23-8-14)25-15-5-12-3-1-2-4-13(12)6-15/h1-4,7-9,15H,5-6,10-11H2,(H,22,23,25)(H,24,26,29)
InChIKeyRSDKRQUJGMBCDL-UHFFFAOYSA-N
MW419.42 g/mol
LogP1.91
Rot. Bonds5

About N-(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-(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 169273902) has the molecular formula C20H18FN9O and a molecular weight of 419.42 g/mol. Its IUPAC name is N-(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-(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 CID169273902
Molecular FormulaC20H18FN9O
Molecular Weight419.42 g/mol
Exact Mass419.16
IUPAC NameN-(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
SMILESFC1(c2cn[nH]n2)CN(c2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)C1
InChIInChI=1S/C20H18FN9O/c21-20(16-9-24-29-26-16)10-30(11-20)19-28-27-17(31-19)14-7-22-18(23-8-14)25-15-5-12-3-1-2-4-13(12)6-15/h1-4,7-9,15H,5-6,10-11H2,(H,22,23,25)(H,24,26,29)
InChIKeyRSDKRQUJGMBCDL-UHFFFAOYSA-N
XLogP1.91
TPSA121.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(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-(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 169273902) is N-(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-(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-(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 FC1(c2cn[nH]n2)CN(c2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)C1.
What is the InChIKey of N-(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 RSDKRQUJGMBCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN9O/c21-20(16-9-24-29-26-16)10-30(11-20)19-28-27-17(31-19)14-7-22-18(23-8-14)25-15-5-12-3-1-2-4-13(12)6-15/h1-4,7-9,15H,5-6,10-11H2,(H,22,23,25)(H,24,26,29).
What are the key properties of N-(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-(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 419.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(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 169273902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).