[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid

C21H12Cl2F2N6O3 — CID 175833527

IUPAC[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1cc(F)ccc1-c1cc(Cl)c(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cc1F
InChIInChI=1S/C21H12Cl2F2N6O3/c22-15-7-13(12-2-1-10(24)5-18(12)30-21(33)34)17(25)8-14(15)20(32)29-11-6-16(23)19(26-9-11)31-27-3-4-28-31/h1-9,30H,(H,29,32)(H,33,34)
InChIKeyKZJJEJKWHMGQAC-UHFFFAOYSA-N
MW505.27 g/mol
LogP5.26
Rot. Bonds5

About [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid

[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid (PubChem CID 175833527) has the molecular formula C21H12Cl2F2N6O3 and a molecular weight of 505.27 g/mol. Its IUPAC name is [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid
PubChem CID175833527
Molecular FormulaC21H12Cl2F2N6O3
Molecular Weight505.27 g/mol
Exact Mass504.03
IUPAC Name[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1cc(F)ccc1-c1cc(Cl)c(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cc1F
InChIInChI=1S/C21H12Cl2F2N6O3/c22-15-7-13(12-2-1-10(24)5-18(12)30-21(33)34)17(25)8-14(15)20(32)29-11-6-16(23)19(26-9-11)31-27-3-4-28-31/h1-9,30H,(H,29,32)(H,33,34)
InChIKeyKZJJEJKWHMGQAC-UHFFFAOYSA-N
XLogP5.26
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.27
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid 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

2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-4-[2-(cyclopropylamino)-4-fluorophenyl]-5-fluorobenzamide
CID 166463000
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluoro-2-prop-2-ynylphenyl)benzamide
CID 167302312
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-[3-(prop-2-enoylamino)-4-pyridinyl]benzamide
CID 167302764
5-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-4-[4-fluoro-2-(methylamino)phenyl]benzamide
CID 166462855
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 166462993
2-chloro-5-fluoro-4-(4-fluoro-2-iodophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463101
2-chloro-N-[5-chloro-6-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-pyridinyl]-5-fluoro-4-[4-fluoro-2-(2-hydroxyethylamino)phenyl]benzamide
CID 167302310
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-ethynyl-4-(4-fluoro-2-formylphenyl)-2-methylbenzamide
CID 167302717
4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide
CID 166463060
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166462944
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087

Frequently Asked Questions

What is the IUPAC name of [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid?
The IUPAC name of [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid (CID 175833527) is [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid.
What is the SMILES notation for [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid?
The canonical SMILES for [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid is O=C(O)Nc1cc(F)ccc1-c1cc(Cl)c(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cc1F.
What is the InChIKey of [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid?
The InChIKey is KZJJEJKWHMGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F2N6O3/c22-15-7-13(12-2-1-10(24)5-18(12)30-21(33)34)17(25)8-14(15)20(32)29-11-6-16(23)19(26-9-11)31-27-3-4-28-31/h1-9,30H,(H,29,32)(H,33,34).
What are the key properties of [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid?
[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid has a molecular weight of 505.27 g/mol, XLogP of 5.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid is sourced from PubChem (CID 175833527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).