[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C18H18ClN5O2 — CID 53203648

IUPAC[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nnc4ccc(Cl)cn34)CC2)cc1
InChIInChI=1S/C18H18ClN5O2/c1-26-15-5-2-13(3-6-15)17(25)22-8-10-23(11-9-22)18-21-20-16-7-4-14(19)12-24(16)18/h2-7,12H,8-11H2,1H3
InChIKeyGMBSPELHIWOHPQ-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.35
Rot. Bonds3

About [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 53203648) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID53203648
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nnc4ccc(Cl)cn34)CC2)cc1
InChIInChI=1S/C18H18ClN5O2/c1-26-15-5-2-13(3-6-15)17(25)22-8-10-23(11-9-22)18-21-20-16-7-4-14(19)12-24(16)18/h2-7,12H,8-11H2,1H3
InChIKeyGMBSPELHIWOHPQ-UHFFFAOYSA-N
XLogP2.35
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 53203648) is [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3nnc4ccc(Cl)cn34)CC2)cc1.
What is the InChIKey of [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is GMBSPELHIWOHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-26-15-5-2-13(3-6-15)17(25)22-8-10-23(11-9-22)18-21-20-16-7-4-14(19)12-24(16)18/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 371.83 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53203648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).