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

C22H23N5 — CID 57459636

IUPAC3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C22H23N5/c23-15-19-20(10-13-27-21(14-16-6-7-16)24-25-22(19)27)26-11-8-18(9-12-26)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14H2
InChIKeyNNJSEFPZMRLEPI-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.94
Rot. Bonds4

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

3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (PubChem CID 57459636) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
PubChem CID57459636
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C22H23N5/c23-15-19-20(10-13-27-21(14-16-6-7-16)24-25-22(19)27)26-11-8-18(9-12-26)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14H2
InChIKeyNNJSEFPZMRLEPI-UHFFFAOYSA-N
XLogP3.94
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The IUPAC name of 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (CID 57459636) is 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The canonical SMILES for 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The InChIKey is NNJSEFPZMRLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c23-15-19-20(10-13-27-21(14-16-6-7-16)24-25-22(19)27)26-11-8-18(9-12-26)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14H2.
What are the key properties of 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is sourced from PubChem (CID 57459636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).