7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C26H32N6 — CID 130451181

IUPAC7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCCN2CCC(c3ccccc3)CC2)c2ccccc2)c2c(n1)NNN2
InChIInChI=1S/C26H32N6/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/h1-6,8-11,18,20,22,29,31H,7,12-17H2,(H3,27,28,30)/t22-/m1/s1
InChIKeySZNCXLJQSYEBLQ-JOCHJYFZSA-N
MW428.58 g/mol
LogP4.71
Rot. Bonds7

About 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130451181) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130451181
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC Name7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCCN2CCC(c3ccccc3)CC2)c2ccccc2)c2c(n1)NNN2
InChIInChI=1S/C26H32N6/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/h1-6,8-11,18,20,22,29,31H,7,12-17H2,(H3,27,28,30)/t22-/m1/s1
InChIKeySZNCXLJQSYEBLQ-JOCHJYFZSA-N
XLogP4.71
TPSA78.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 130451181) is 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](CCCN2CCC(c3ccccc3)CC2)c2ccccc2)c2c(n1)NNN2.
What is the InChIKey of 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is SZNCXLJQSYEBLQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32N6/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/h1-6,8-11,18,20,22,29,31H,7,12-17H2,(H3,27,28,30)/t22-/m1/s1.
What are the key properties of 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 428.58 g/mol, XLogP of 4.71, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130451181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).