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

C25H28N6 — CID 162672564

IUPAC7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCN[C@@H]2CC[C@@H](c3ccccc3)C2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C25H28N6/c26-23-16-22(24-25(28-23)30-31-29-24)21(18-9-5-2-6-10-18)13-14-27-20-12-11-19(15-20)17-7-3-1-4-8-17/h1-10,16,19-21,27H,11-15H2,(H3,26,28,29,30,31)/t19-,20-,21-/m1/s1
InChIKeyANLZEFFULAPVJO-NJDAHSKKSA-N
MW412.54 g/mol
LogP4.38
Rot. Bonds7

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

7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 162672564) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID162672564
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCN[C@@H]2CC[C@@H](c3ccccc3)C2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C25H28N6/c26-23-16-22(24-25(28-23)30-31-29-24)21(18-9-5-2-6-10-18)13-14-27-20-12-11-19(15-20)17-7-3-1-4-8-17/h1-10,16,19-21,27H,11-15H2,(H3,26,28,29,30,31)/t19-,20-,21-/m1/s1
InChIKeyANLZEFFULAPVJO-NJDAHSKKSA-N
XLogP4.38
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-158809
CID 183134
FK-739 free acid
CID 9801627
2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
CID 44373246
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-cyclopentyl-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 16109430
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
2,6-Diphenyl-8-methyl-1-deazapurine
CID 16109426
2,6-Dphenyl-8-propyl-1-deazapurine
CID 16109427

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 162672564) is 7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](CCN[C@@H]2CC[C@@H](c3ccccc3)C2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ANLZEFFULAPVJO-NJDAHSKKSA-N. The full InChI is InChI=1S/C25H28N6/c26-23-16-22(24-25(28-23)30-31-29-24)21(18-9-5-2-6-10-18)13-14-27-20-12-11-19(15-20)17-7-3-1-4-8-17/h1-10,16,19-21,27H,11-15H2,(H3,26,28,29,30,31)/t19-,20-,21-/m1/s1.
What are the key properties of 7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 412.54 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 162672564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).