7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C27H31FN6 — CID 145371753

IUPAC7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1ccc(F)c(C(CCNC2CCC(c3ccccc3)CC2)c2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C27H31FN6/c1-17-7-12-24(28)22(15-17)21(23-16-25(29)31-27-26(23)32-34-33-27)13-14-30-20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-7,12,15-16,19-21,30H,8-11,13-14H2,1H3,(H3,29,31,32,33,34)
InChIKeyXKHWGIQHUPPPSE-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.22
Rot. Bonds7

About 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145371753) has the molecular formula C27H31FN6 and a molecular weight of 458.59 g/mol. Its IUPAC name is 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID145371753
Molecular FormulaC27H31FN6
Molecular Weight458.59 g/mol
Exact Mass458.26
IUPAC Name7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1ccc(F)c(C(CCNC2CCC(c3ccccc3)CC2)c2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C27H31FN6/c1-17-7-12-24(28)22(15-17)21(23-16-25(29)31-27-26(23)32-34-33-27)13-14-30-20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-7,12,15-16,19-21,30H,8-11,13-14H2,1H3,(H3,29,31,32,33,34)
InChIKeyXKHWGIQHUPPPSE-UHFFFAOYSA-N
XLogP5.22
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

L-158809
CID 183134
2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CID 16109435
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
5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine
CID 10004498
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
2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine
CID 10322211
2-ethyl-5,7-dimethyl-3-[[4-[5-propyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 44372744

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145371753) is 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1ccc(F)c(C(CCNC2CCC(c3ccccc3)CC2)c2cc(N)nc3n[nH]nc23)c1.
What is the InChIKey of 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is XKHWGIQHUPPPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6/c1-17-7-12-24(28)22(15-17)21(23-16-25(29)31-27-26(23)32-34-33-27)13-14-30-20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-7,12,15-16,19-21,30H,8-11,13-14H2,1H3,(H3,29,31,32,33,34).
What are the key properties of 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 458.59 g/mol, XLogP of 5.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-fluoro-5-methylphenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145371753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).