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

C25H28N6 — CID 155099344

IUPAC7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1(C)C[C@H](NCCC(c2ccccc2)c2cc(N)nc3n[nH]nc23)c2ccccc21
InChIInChI=1S/C25H28N6/c1-25(2)15-21(18-10-6-7-11-20(18)25)27-13-12-17(16-8-4-3-5-9-16)19-14-22(26)28-24-23(19)29-31-30-24/h3-11,14,17,21,27H,12-13,15H2,1-2H3,(H3,26,28,29,30,31)/t17?,21-/m0/s1
InChIKeyAUTHTDQGOBIVQE-LFABVHOISA-N
MW412.54 g/mol
LogP4.47
Rot. Bonds6

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

7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155099344) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID155099344
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1(C)C[C@H](NCCC(c2ccccc2)c2cc(N)nc3n[nH]nc23)c2ccccc21
InChIInChI=1S/C25H28N6/c1-25(2)15-21(18-10-6-7-11-20(18)25)27-13-12-17(16-8-4-3-5-9-16)19-14-22(26)28-24-23(19)29-31-30-24/h3-11,14,17,21,27H,12-13,15H2,1-2H3,(H3,26,28,29,30,31)/t17?,21-/m0/s1
InChIKeyAUTHTDQGOBIVQE-LFABVHOISA-N
XLogP4.47
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 155099344) is 7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is CC1(C)C[C@H](NCCC(c2ccccc2)c2cc(N)nc3n[nH]nc23)c2ccccc21.
What is the InChIKey of 7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is AUTHTDQGOBIVQE-LFABVHOISA-N. The full InChI is InChI=1S/C25H28N6/c1-25(2)15-21(18-10-6-7-11-20(18)25)27-13-12-17(16-8-4-3-5-9-16)19-14-22(26)28-24-23(19)29-31-30-24/h3-11,14,17,21,27H,12-13,15H2,1-2H3,(H3,26,28,29,30,31)/t17?,21-/m0/s1.
What are the key properties of 7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 412.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155099344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).