5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide

C29H23Cl2F3N8O3 — CID 58047704

IUPAC5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
SMILESCOc1ccccc1CNC(=O)c1cc(Cl)cc(C)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C29H23Cl2F3N8O3/c1-16-10-18(30)11-21(27(44)36-14-17-6-3-4-8-25(17)45-2)20(16)13-24(43)23-12-19(15-41-39-28(37-40-41)29(32,33)34)38-42(23)26-22(31)7-5-9-35-26/h3-12H,13-15H2,1-2H3,(H,36,44)
InChIKeyKGKMUBZCPGMOJQ-UHFFFAOYSA-N
MW659.46 g/mol
LogP5.30
Rot. Bonds10

About 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide

5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide (PubChem CID 58047704) has the molecular formula C29H23Cl2F3N8O3 and a molecular weight of 659.46 g/mol. Its IUPAC name is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
PubChem CID58047704
Molecular FormulaC29H23Cl2F3N8O3
Molecular Weight659.46 g/mol
Exact Mass658.12
IUPAC Name5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
SMILESCOc1ccccc1CNC(=O)c1cc(Cl)cc(C)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C29H23Cl2F3N8O3/c1-16-10-18(30)11-21(27(44)36-14-17-6-3-4-8-25(17)45-2)20(16)13-24(43)23-12-19(15-41-39-28(37-40-41)29(32,33)34)38-42(23)26-22(31)7-5-9-35-26/h3-12H,13-15H2,1-2H3,(H,36,44)
InChIKeyKGKMUBZCPGMOJQ-UHFFFAOYSA-N
XLogP5.30
TPSA129.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
The IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide (CID 58047704) is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
The canonical SMILES for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide is COc1ccccc1CNC(=O)c1cc(Cl)cc(C)c1CC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.
What is the InChIKey of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
The InChIKey is KGKMUBZCPGMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2F3N8O3/c1-16-10-18(30)11-21(27(44)36-14-17-6-3-4-8-25(17)45-2)20(16)13-24(43)23-12-19(15-41-39-28(37-40-41)29(32,33)34)38-42(23)26-22(31)7-5-9-35-26/h3-12H,13-15H2,1-2H3,(H,36,44).
What are the key properties of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide has a molecular weight of 659.46 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 58047704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).