N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

C20H17F2N9O — CID 162722508

IUPACN-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc(NC5=NCCN5)cc4)nn3)nc2)o1
InChIInChI=1S/C20H17F2N9O/c21-17(22)19-29-28-18(32-19)13-3-6-15(25-9-13)10-31-11-16(27-30-31)12-1-4-14(5-2-12)26-20-23-7-8-24-20/h1-6,9,11,17H,7-8,10H2,(H2,23,24,26)
InChIKeyWPQMVEUOERDDKR-UHFFFAOYSA-N
MW437.41 g/mol
LogP2.75
Rot. Bonds6

About N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 162722508) has the molecular formula C20H17F2N9O and a molecular weight of 437.41 g/mol. Its IUPAC name is N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID162722508
Molecular FormulaC20H17F2N9O
Molecular Weight437.41 g/mol
Exact Mass437.15
IUPAC NameN-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc(NC5=NCCN5)cc4)nn3)nc2)o1
InChIInChI=1S/C20H17F2N9O/c21-17(22)19-29-28-18(32-19)13-3-6-15(25-9-13)10-31-11-16(27-30-31)12-1-4-14(5-2-12)26-20-23-7-8-24-20/h1-6,9,11,17H,7-8,10H2,(H2,23,24,26)
InChIKeyWPQMVEUOERDDKR-UHFFFAOYSA-N
XLogP2.75
TPSA118.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine with MolForge

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Related Compounds

N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)piperidin-4-yl)-1H-imidazole-5-carboxamide
CID 134612039
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644879
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,3-difluorobenzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721884
(3R)-5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 162721904
7-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 162721915
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one
CID 162721921
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-1-methyl-1H-benzo[d]imidazol-2-amine
CID 162721925
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
7'-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one
CID 162721955
6-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-N-ethyl-1H-benzo[d]imidazol-2-amine
CID 162721960
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 162721964

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 162722508) is N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc(NC5=NCCN5)cc4)nn3)nc2)o1.
What is the InChIKey of N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WPQMVEUOERDDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N9O/c21-17(22)19-29-28-18(32-19)13-3-6-15(25-9-13)10-31-11-16(27-30-31)12-1-4-14(5-2-12)26-20-23-7-8-24-20/h1-6,9,11,17H,7-8,10H2,(H2,23,24,26).
What are the key properties of N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 437.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 162722508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).