7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C24H23F3N6 — CID 155099407

IUPAC7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCN[C@@H]2CCc3ccc(C(F)(F)F)cc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C24H23F3N6/c25-24(26,27)16-8-6-15-7-9-20(18(15)12-16)29-11-10-17(14-4-2-1-3-5-14)19-13-21(28)30-23-22(19)31-33-32-23/h1-6,8,12-13,17,20,29H,7,9-11H2,(H3,28,30,31,32,33)/t17?,20-/m1/s1
InChIKeyMAUWUWSDSLNCSL-UUSAFJCLSA-N
MW452.48 g/mol
LogP4.75
Rot. Bonds6

About 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155099407) has the molecular formula C24H23F3N6 and a molecular weight of 452.48 g/mol. Its IUPAC name is 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID155099407
Molecular FormulaC24H23F3N6
Molecular Weight452.48 g/mol
Exact Mass452.19
IUPAC Name7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCN[C@@H]2CCc3ccc(C(F)(F)F)cc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C24H23F3N6/c25-24(26,27)16-8-6-15-7-9-20(18(15)12-16)29-11-10-17(14-4-2-1-3-5-14)19-13-21(28)30-23-22(19)31-33-32-23/h1-6,8,12-13,17,20,29H,7,9-11H2,(H3,28,30,31,32,33)/t17?,20-/m1/s1
InChIKeyMAUWUWSDSLNCSL-UUSAFJCLSA-N
XLogP4.75
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

L-158809
CID 183134
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CID 44373246
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
2-Ethyl-5,7-Dimethyl-3-{(1s)-5-[2-(1h-Tetrazol-5-Yl)phenyl]-2,3-Dihydro-1h-Inden-1-Yl}-3h-Imidazo[4,5-B]pyridine
CID 54178446
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
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CID 16111777
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CID 44372744

Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 155099407) is 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCN[C@@H]2CCc3ccc(C(F)(F)F)cc32)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is MAUWUWSDSLNCSL-UUSAFJCLSA-N. The full InChI is InChI=1S/C24H23F3N6/c25-24(26,27)16-8-6-15-7-9-20(18(15)12-16)29-11-10-17(14-4-2-1-3-5-14)19-13-21(28)30-23-22(19)31-33-32-23/h1-6,8,12-13,17,20,29H,7,9-11H2,(H3,28,30,31,32,33)/t17?,20-/m1/s1.
What are the key properties of 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 452.48 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-phenyl-3-[[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155099407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).