7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine

C28H30N6 — CID 130431806

IUPAC7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(/C(=C\CNC23CCC(c4ccccc4)(CC2)CC3)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C28H30N6/c29-24-19-23(25-26(31-24)33-34-32-25)22(20-7-3-1-4-8-20)11-18-30-28-15-12-27(13-16-28,14-17-28)21-9-5-2-6-10-21/h1-11,19,30H,12-18H2,(H3,29,31,32,33,34)/b22-11-
InChIKeySYWYBVWUPJNRAA-JJFYIABZSA-N
MW450.59 g/mol
LogP5.00
Rot. Bonds6

About 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130431806) has the molecular formula C28H30N6 and a molecular weight of 450.59 g/mol. Its IUPAC name is 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130431806
Molecular FormulaC28H30N6
Molecular Weight450.59 g/mol
Exact Mass450.25
IUPAC Name7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(/C(=C\CNC23CCC(c4ccccc4)(CC2)CC3)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C28H30N6/c29-24-19-23(25-26(31-24)33-34-32-25)22(20-7-3-1-4-8-20)11-18-30-28-15-12-27(13-16-28,14-17-28)21-9-5-2-6-10-21/h1-11,19,30H,12-18H2,(H3,29,31,32,33,34)/b22-11-
InChIKeySYWYBVWUPJNRAA-JJFYIABZSA-N
XLogP5.00
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

L-158809
CID 183134
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
Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076145
5,7-dimethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076146
N-isopropyl-3-(4-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20874463
2-ethyl-5,7-dimethyl-3-[[4-[(Z)-1-phenyl-2-(2H-tetrazol-5-yl)ethenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 10550859
2-ethyl-5,7-dimethyl-3-[[4-[1-phenyl-2-(2H-tetrazol-5-yl)ethyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 10670628
5-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076144

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130431806) is 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(/C(=C\CNC23CCC(c4ccccc4)(CC2)CC3)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is SYWYBVWUPJNRAA-JJFYIABZSA-N. The full InChI is InChI=1S/C28H30N6/c29-24-19-23(25-26(31-24)33-34-32-25)22(20-7-3-1-4-8-20)11-18-30-28-15-12-27(13-16-28,14-17-28)21-9-5-2-6-10-21/h1-11,19,30H,12-18H2,(H3,29,31,32,33,34)/b22-11-.
What are the key properties of 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 450.59 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-1-phenyl-3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]prop-1-enyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130431806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).