[5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C14H16BrN5O — CID 91952981

IUPAC[5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(-n3cnnc3)c(Br)c2)CC1
InChIInChI=1S/C14H16BrN5O/c1-10-2-4-19(5-3-10)14(21)11-6-12(15)13(16-7-11)20-8-17-18-9-20/h6-10H,2-5H2,1H3
InChIKeyRPGFIBYPODEMDY-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.30
Rot. Bonds2

About [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 91952981) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID91952981
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name[5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(-n3cnnc3)c(Br)c2)CC1
InChIInChI=1S/C14H16BrN5O/c1-10-2-4-19(5-3-10)14(21)11-6-12(15)13(16-7-11)20-8-17-18-9-20/h6-10H,2-5H2,1H3
InChIKeyRPGFIBYPODEMDY-UHFFFAOYSA-N
XLogP2.30
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 91952980
methyl 1-[5-bromo-6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 91952988
ethyl 1-[5-chloro-6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 91952931
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 176513313
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
(3-bromo-4-prop-2-enoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 17067207
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
[2-(cycloheptylamino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250708
5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106740

Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 91952981) is [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnc(-n3cnnc3)c(Br)c2)CC1.
What is the InChIKey of [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RPGFIBYPODEMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c1-10-2-4-19(5-3-10)14(21)11-6-12(15)13(16-7-11)20-8-17-18-9-20/h6-10H,2-5H2,1H3.
What are the key properties of [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 350.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91952981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).