7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C30H30N6 — CID 155099329

IUPAC7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCN[C@H]2C[C@H](c3ccccc3)Cc3ccccc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C30H30N6/c31-28-19-26(29-30(33-28)35-36-34-29)24(21-11-5-2-6-12-21)15-16-32-27-18-23(20-9-3-1-4-10-20)17-22-13-7-8-14-25(22)27/h1-14,19,23-24,27,32H,15-18H2,(H3,31,33,34,35,36)/t23-,24?,27+/m1/s1
InChIKeyHELFYLVWPQBHMF-WRNLUVMSSA-N
MW474.61 g/mol
LogP5.52
Rot. Bonds7

About 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155099329) has the molecular formula C30H30N6 and a molecular weight of 474.61 g/mol. Its IUPAC name is 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID155099329
Molecular FormulaC30H30N6
Molecular Weight474.61 g/mol
Exact Mass474.25
IUPAC Name7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCN[C@H]2C[C@H](c3ccccc3)Cc3ccccc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C30H30N6/c31-28-19-26(29-30(33-28)35-36-34-29)24(21-11-5-2-6-12-21)15-16-32-27-18-23(20-9-3-1-4-10-20)17-22-13-7-8-14-25(22)27/h1-14,19,23-24,27,32H,15-18H2,(H3,31,33,34,35,36)/t23-,24?,27+/m1/s1
InChIKeyHELFYLVWPQBHMF-WRNLUVMSSA-N
XLogP5.52
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-[1-phenyl-3-[(2-phenyl-2,3-dihydro-1H-inden-1-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371847
7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099344
7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099382
7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099281
7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371733
7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431144
7-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099348
7-[1-(1-cyclopentylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431163
7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371843
7-[(1R)-1-phenyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162650581
7-[1-phenyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099338
4-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]piperidin-2-one
CID 162533926

Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 155099329) is 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCN[C@H]2C[C@H](c3ccccc3)Cc3ccccc32)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is HELFYLVWPQBHMF-WRNLUVMSSA-N. The full InChI is InChI=1S/C30H30N6/c31-28-19-26(29-30(33-28)35-36-34-29)24(21-11-5-2-6-12-21)15-16-32-27-18-23(20-9-3-1-4-10-20)17-22-13-7-8-14-25(22)27/h1-14,19,23-24,27,32H,15-18H2,(H3,31,33,34,35,36)/t23-,24?,27+/m1/s1.
What are the key properties of 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 474.61 g/mol, XLogP of 5.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155099329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).