7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine

C21H20F2N6 — CID 130431679

IUPAC7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C21H20F2N6/c22-21(23,15-9-5-2-6-10-15)13-25-12-17(14-7-3-1-4-8-14)16-11-18(24)26-20-19(16)27-29-28-20/h1-11,17,25H,12-13H2,(H3,24,26,27,28,29)
InChIKeyRECQIEZJGCWJDS-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.45
Rot. Bonds7

About 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130431679) has the molecular formula C21H20F2N6 and a molecular weight of 394.43 g/mol. Its IUPAC name is 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130431679
Molecular FormulaC21H20F2N6
Molecular Weight394.43 g/mol
Exact Mass394.17
IUPAC Name7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C21H20F2N6/c22-21(23,15-9-5-2-6-10-15)13-25-12-17(14-7-3-1-4-8-14)16-11-18(24)26-20-19(16)27-29-28-20/h1-11,17,25H,12-13H2,(H3,24,26,27,28,29)
InChIKeyRECQIEZJGCWJDS-UHFFFAOYSA-N
XLogP3.45
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

L-158809
CID 183134
5,7-diphenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 16109428
2,6-Diphenyl-8-(1-ethylpropyl)-1-deazapurine
CID 16109429
2-cyclopentyl-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 16109430
2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CID 16109435
2-(2-methylpropyl)-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 44418996
7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 145371765
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
2,6-Diphenyl-8-methyl-1-deazapurine
CID 16109426
2,6-Dphenyl-8-propyl-1-deazapurine
CID 16109427
Mpo-IN-4
CID 126650041

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130431679) is 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is RECQIEZJGCWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6/c22-21(23,15-9-5-2-6-10-15)13-25-12-17(14-7-3-1-4-8-14)16-11-18(24)26-20-19(16)27-29-28-20/h1-11,17,25H,12-13H2,(H3,24,26,27,28,29).
What are the key properties of 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 394.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130431679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).