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

C21H23ClN4 — CID 57459640

IUPAC8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C21H23ClN4/c22-20-18(10-13-26-19(14-15-6-7-15)23-24-21(20)26)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
InChIKeyGLVIOTOHLKXDLX-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.72
Rot. Bonds4

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

8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 57459640) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID57459640
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C21H23ClN4/c22-20-18(10-13-26-19(14-15-6-7-15)23-24-21(20)26)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
InChIKeyGLVIOTOHLKXDLX-UHFFFAOYSA-N
XLogP4.72
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

R121919
CID 9821250
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
Jnj-42153605
CID 49765871
3-(Cyclopropylmethyl)-7-((4-phenyl-1-piperidinyl)methyl)-8-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyridine
CID 49822115
Pde2/pde10-IN-1
CID 71295299

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 57459640) is 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GLVIOTOHLKXDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c22-20-18(10-13-26-19(14-15-6-7-15)23-24-21(20)26)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2.
What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 366.90 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 57459640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).