7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine

C23H24N6 — CID 155099253

IUPAC7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCN[C@H]2CCc3ccccc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C23H24N6/c24-21-14-19(22-23(26-21)28-29-27-22)17(15-6-2-1-3-7-15)12-13-25-20-11-10-16-8-4-5-9-18(16)20/h1-9,14,17,20,25H,10-13H2,(H3,24,26,27,28,29)/t17-,20+/m1/s1
InChIKeyDVUSPTTWBXHBNF-XLIONFOSSA-N
MW384.49 g/mol
LogP3.73
Rot. Bonds6

About 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155099253) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID155099253
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCN[C@H]2CCc3ccccc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C23H24N6/c24-21-14-19(22-23(26-21)28-29-27-22)17(15-6-2-1-3-7-15)12-13-25-20-11-10-16-8-4-5-9-18(16)20/h1-9,14,17,20,25H,10-13H2,(H3,24,26,27,28,29)/t17-,20+/m1/s1
InChIKeyDVUSPTTWBXHBNF-XLIONFOSSA-N
XLogP3.73
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 183134
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CID 44373246
2-cyclopentyl-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 16109430
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
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
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CID 15076146

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 155099253) is 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](CCN[C@H]2CCc3ccccc32)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DVUSPTTWBXHBNF-XLIONFOSSA-N. The full InChI is InChI=1S/C23H24N6/c24-21-14-19(22-23(26-21)28-29-27-22)17(15-6-2-1-3-7-15)12-13-25-20-11-10-16-8-4-5-9-18(16)20/h1-9,14,17,20,25H,10-13H2,(H3,24,26,27,28,29)/t17-,20+/m1/s1.
What are the key properties of 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 384.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155099253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).