7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile

C23H20N6 — CID 57459545

IUPAC7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(-c3ccncc3)nnc12
InChIInChI=1S/C23H20N6/c24-16-20-21(28-13-8-18(9-14-28)17-4-2-1-3-5-17)10-15-29-22(26-27-23(20)29)19-6-11-25-12-7-19/h1-7,10-12,15,18H,8-9,13-14H2
InChIKeyDKFHYRNTSPLQQO-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.05
Rot. Bonds3

About 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile

7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (PubChem CID 57459545) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
PubChem CID57459545
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(-c3ccncc3)nnc12
InChIInChI=1S/C23H20N6/c24-16-20-21(28-13-8-18(9-14-28)17-4-2-1-3-5-17)10-15-29-22(26-27-23(20)29)19-6-11-25-12-7-19/h1-7,10-12,15,18H,8-9,13-14H2
InChIKeyDKFHYRNTSPLQQO-UHFFFAOYSA-N
XLogP4.05
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (CID 57459545) is 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(-c3ccncc3)nnc12.
What is the InChIKey of 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The InChIKey is DKFHYRNTSPLQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c24-16-20-21(28-13-8-18(9-14-28)17-4-2-1-3-5-17)10-15-29-22(26-27-23(20)29)19-6-11-25-12-7-19/h1-7,10-12,15,18H,8-9,13-14H2.
What are the key properties of 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile has a molecular weight of 380.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is sourced from PubChem (CID 57459545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).