[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

C18H17ClFN5O2 — CID 53203701

IUPAC[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nnc4c(Cl)cccn34)CC2)cc1F
InChIInChI=1S/C18H17ClFN5O2/c1-27-15-5-4-12(11-14(15)20)17(26)23-7-9-24(10-8-23)18-22-21-16-13(19)3-2-6-25(16)18/h2-6,11H,7-10H2,1H3
InChIKeyFARUUNKSNCEKQS-UHFFFAOYSA-N
MW389.82 g/mol
LogP2.49
Rot. Bonds3

About [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 53203701) has the molecular formula C18H17ClFN5O2 and a molecular weight of 389.82 g/mol. Its IUPAC name is [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID53203701
Molecular FormulaC18H17ClFN5O2
Molecular Weight389.82 g/mol
Exact Mass389.11
IUPAC Name[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nnc4c(Cl)cccn34)CC2)cc1F
InChIInChI=1S/C18H17ClFN5O2/c1-27-15-5-4-12(11-14(15)20)17(26)23-7-9-24(10-8-23)18-22-21-16-13(19)3-2-6-25(16)18/h2-6,11H,7-10H2,1H3
InChIKeyFARUUNKSNCEKQS-UHFFFAOYSA-N
XLogP2.49
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 53203694
(3-fluoro-4-methoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 87054141
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone
CID 53203708
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 17427851
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
1-[4-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 32754911
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113076928
(3-fluoro-4-methoxyphenyl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343513
(3-fluoro-4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808459
(3,4-dichlorophenyl)-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077951
[4-(2-chloro-4,5-difluorobenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 34477784
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032

Frequently Asked Questions

What is the IUPAC name of [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 53203701) is [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3nnc4c(Cl)cccn34)CC2)cc1F.
What is the InChIKey of [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is FARUUNKSNCEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O2/c1-27-15-5-4-12(11-14(15)20)17(26)23-7-9-24(10-8-23)18-22-21-16-13(19)3-2-6-25(16)18/h2-6,11H,7-10H2,1H3.
What are the key properties of [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 389.82 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 53203701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).