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

C24H30N4 — CID 70451134

IUPAC3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(C(C)N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C24H30N4/c1-17-22(12-15-28-23(16-19-8-9-19)25-26-24(17)28)18(2)27-13-10-21(11-14-27)20-6-4-3-5-7-20/h3-7,12,15,18-19,21H,8-11,13-14,16H2,1-2H3
InChIKeyHDXBNYFXANGZFB-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.93
Rot. Bonds5

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

3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 70451134) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID70451134
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(C(C)N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C24H30N4/c1-17-22(12-15-28-23(16-19-8-9-19)25-26-24(17)28)18(2)27-13-10-21(11-14-27)20-6-4-3-5-7-20/h3-7,12,15,18-19,21H,8-11,13-14,16H2,1-2H3
InChIKeyHDXBNYFXANGZFB-UHFFFAOYSA-N
XLogP4.93
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 70451134) is 3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1c(C(C)N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HDXBNYFXANGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-17-22(12-15-28-23(16-19-8-9-19)25-26-24(17)28)18(2)27-13-10-21(11-14-27)20-6-4-3-5-7-20/h3-7,12,15,18-19,21H,8-11,13-14,16H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 374.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-8-methyl-7-[1-(4-phenylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 70451134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).