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

C26H31N7 — CID 155099270

IUPAC7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1CC(NCCC(c2ccccc2)c2cc(N)nc3n[nH]nc23)CCN1c1ccccc1
InChIInChI=1S/C26H31N7/c1-18-16-20(13-15-33(18)21-10-6-3-7-11-21)28-14-12-22(19-8-4-2-5-9-19)23-17-24(27)29-26-25(23)30-32-31-26/h2-11,17-18,20,22,28H,12-16H2,1H3,(H3,27,29,30,31,32)
InChIKeyQOMYVMVRLZZQKL-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.10
Rot. Bonds7

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

7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155099270) has the molecular formula C26H31N7 and a molecular weight of 441.58 g/mol. Its IUPAC name is 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID155099270
Molecular FormulaC26H31N7
Molecular Weight441.58 g/mol
Exact Mass441.26
IUPAC Name7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1CC(NCCC(c2ccccc2)c2cc(N)nc3n[nH]nc23)CCN1c1ccccc1
InChIInChI=1S/C26H31N7/c1-18-16-20(13-15-33(18)21-10-6-3-7-11-21)28-14-12-22(19-8-4-2-5-9-19)23-17-24(27)29-26-25(23)30-32-31-26/h2-11,17-18,20,22,28H,12-16H2,1H3,(H3,27,29,30,31,32)
InChIKeyQOMYVMVRLZZQKL-UHFFFAOYSA-N
XLogP4.10
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099382
7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371733
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-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099329
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-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371932
7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099281
7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431144
7-[1-(1-cyclopentylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431163
7-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099348
7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371843
7-[3-[(4-butyl-1-bicyclo[2.2.2]octanyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371661

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 155099270) is 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is CC1CC(NCCC(c2ccccc2)c2cc(N)nc3n[nH]nc23)CCN1c1ccccc1.
What is the InChIKey of 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is QOMYVMVRLZZQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7/c1-18-16-20(13-15-33(18)21-10-6-3-7-11-21)28-14-12-22(19-8-4-2-5-9-19)23-17-24(27)29-26-25(23)30-32-31-26/h2-11,17-18,20,22,28H,12-16H2,1H3,(H3,27,29,30,31,32).
What are the key properties of 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 441.58 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(2-methyl-1-phenylpiperidin-4-yl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155099270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).