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

C26H29FN6 — CID 155099402

IUPAC7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC2CCC(c3ccccc3)CC2)c2cccc(F)c2)c2n[nH]nc2n1
InChIInChI=1S/C26H29FN6/c27-20-8-4-7-19(15-20)22(23-16-24(28)30-26-25(23)31-33-32-26)13-14-29-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-8,15-16,18,21-22,29H,9-14H2,(H3,28,30,31,32,33)
InChIKeyOKJDRVATDCCGPS-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.91
Rot. Bonds7

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

7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155099402) has the molecular formula C26H29FN6 and a molecular weight of 444.56 g/mol. Its IUPAC name is 7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID155099402
Molecular FormulaC26H29FN6
Molecular Weight444.56 g/mol
Exact Mass444.24
IUPAC Name7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC2CCC(c3ccccc3)CC2)c2cccc(F)c2)c2n[nH]nc2n1
InChIInChI=1S/C26H29FN6/c27-20-8-4-7-19(15-20)22(23-16-24(28)30-26-25(23)31-33-32-26)13-14-29-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-8,15-16,18,21-22,29H,9-14H2,(H3,28,30,31,32,33)
InChIKeyOKJDRVATDCCGPS-UHFFFAOYSA-N
XLogP4.91
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[1-(3-fluorophenyl)-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
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-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
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

Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 155099402) is 7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCNC2CCC(c3ccccc3)CC2)c2cccc(F)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is OKJDRVATDCCGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6/c27-20-8-4-7-19(15-20)22(23-16-24(28)30-26-25(23)31-33-32-26)13-14-29-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-8,15-16,18,21-22,29H,9-14H2,(H3,28,30,31,32,33).
What are the key properties of 7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 444.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-fluorophenyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155099402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).