7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine

C26H30N6 — CID 130431915

IUPAC7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCCN2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H30N6/c27-24-18-23(25-26(28-24)30-31-29-25)22(21-10-5-2-6-11-21)12-7-15-32-16-13-20(14-17-32)19-8-3-1-4-9-19/h1-6,8-11,18,20,22H,7,12-17H2,(H3,27,28,29,30,31)/t22-/m1/s1
InChIKeyYJFLOKSEQLPJRQ-JOCHJYFZSA-N
MW426.57 g/mol
LogP4.73
Rot. Bonds7

About 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130431915) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130431915
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCCN2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H30N6/c27-24-18-23(25-26(28-24)30-31-29-25)22(21-10-5-2-6-11-21)12-7-15-32-16-13-20(14-17-32)19-8-3-1-4-9-19/h1-6,8-11,18,20,22H,7,12-17H2,(H3,27,28,29,30,31)/t22-/m1/s1
InChIKeyYJFLOKSEQLPJRQ-JOCHJYFZSA-N
XLogP4.73
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

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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
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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
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Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130431915) is 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](CCCN2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is YJFLOKSEQLPJRQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N6/c27-24-18-23(25-26(28-24)30-31-29-25)22(21-10-5-2-6-11-21)12-7-15-32-16-13-20(14-17-32)19-8-3-1-4-9-19/h1-6,8-11,18,20,22H,7,12-17H2,(H3,27,28,29,30,31)/t22-/m1/s1.
What are the key properties of 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 426.57 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130431915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).