2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine

C19H17F3N8O — CID 162722687

IUPAC2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
SMILESCC(C)(c1cc(N)ccn1)c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)c(F)c2)n1
InChIInChI=1S/C19H17F3N8O/c1-19(2,14-8-11(23)5-6-24-14)18-27-29-30(28-18)9-10-3-4-12(13(20)7-10)16-25-26-17(31-16)15(21)22/h3-8,15H,9H2,1-2H3,(H2,23,24)
InChIKeyRTXXSFWUZUTLCS-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.15
Rot. Bonds6

About 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine

2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine (PubChem CID 162722687) has the molecular formula C19H17F3N8O and a molecular weight of 430.39 g/mol. Its IUPAC name is 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
PubChem CID162722687
Molecular FormulaC19H17F3N8O
Molecular Weight430.39 g/mol
Exact Mass430.15
IUPAC Name2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
SMILESCC(C)(c1cc(N)ccn1)c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)c(F)c2)n1
InChIInChI=1S/C19H17F3N8O/c1-19(2,14-8-11(23)5-6-24-14)18-27-29-30(28-18)9-10-3-4-12(13(20)7-10)16-25-26-17(31-16)15(21)22/h3-8,15H,9H2,1-2H3,(H2,23,24)
InChIKeyRTXXSFWUZUTLCS-UHFFFAOYSA-N
XLogP3.15
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine
CID 162721953
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
CID 162722374
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]tetrazol-5-yl]isoquinolin-1-amine
CID 162722641
2-[2,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162722195
5-[1-[dideuterio-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
CID 169049714
2-[2,5-difluoro-4-[(5-isoquinolin-6-yltetrazol-2-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162722104
2-(difluoromethyl)-5-[4-[[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722132
2-(difluoromethyl)-5-[4-[(5-isoquinolin-7-yltetrazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 162722504
N-[4-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 162721919
2-(difluoromethyl)-5-[4-[[5-(6-piperazin-1-yl-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722479
2-(difluoromethyl)-5-[6-[[4-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170723294
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzoxazol-2-one
CID 155730001

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
The IUPAC name of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine (CID 162722687) is 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine.
What is the SMILES notation for 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
The canonical SMILES for 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine is CC(C)(c1cc(N)ccn1)c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)c(F)c2)n1.
What is the InChIKey of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
The InChIKey is RTXXSFWUZUTLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8O/c1-19(2,14-8-11(23)5-6-24-14)18-27-29-30(28-18)9-10-3-4-12(13(20)7-10)16-25-26-17(31-16)15(21)22/h3-8,15H,9H2,1-2H3,(H2,23,24).
What are the key properties of 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine?
2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine has a molecular weight of 430.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]propan-2-yl]pyridin-4-amine is sourced from PubChem (CID 162722687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).