4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide

C19H19BrN4O3 — CID 46402927

IUPAC4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc(OC)c1Br
InChIInChI=1S/C19H19BrN4O3/c1-11-7-12(2)24(23-11)17-6-5-14(10-21-17)22-19(25)13-8-15(26-3)18(20)16(9-13)27-4/h5-10H,1-4H3,(H,22,25)
InChIKeyDZXXZKYKYSREEU-UHFFFAOYSA-N
MW431.29 g/mol
LogP3.92
Rot. Bonds5

About 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide

4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide (PubChem CID 46402927) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
PubChem CID46402927
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC Name4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc(OC)c1Br
InChIInChI=1S/C19H19BrN4O3/c1-11-7-12(2)24(23-11)17-6-5-14(10-21-17)22-19(25)13-8-15(26-3)18(20)16(9-13)27-4/h5-10H,1-4H3,(H,22,25)
InChIKeyDZXXZKYKYSREEU-UHFFFAOYSA-N
XLogP3.92
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide 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

3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46431681
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzamide
CID 122305386
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 43072017
4-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 31908543
7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 46468257
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide (CID 46402927) is 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide?
The InChIKey is DZXXZKYKYSREEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-11-7-12(2)24(23-11)17-6-5-14(10-21-17)22-19(25)13-8-15(26-3)18(20)16(9-13)27-4/h5-10H,1-4H3,(H,22,25).
What are the key properties of 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide?
4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide has a molecular weight of 431.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 46402927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).