2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide

C23H19Cl2F2N5O2 — CID 175554016

IUPAC2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)(O)C1(F)CC(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)=C(Cl)C=C1c1ccc(F)cc1
InChIInChI=1S/C23H19Cl2F2N5O2/c1-22(2,34)23(27)11-16(18(24)10-17(23)13-3-5-14(26)6-4-13)21(33)31-15-9-19(25)20(28-12-15)32-29-7-8-30-32/h3-10,12,34H,11H2,1-2H3,(H,31,33)
InChIKeyALSIIQGPYGUZEV-UHFFFAOYSA-N
MW506.34 g/mol
LogP4.85
Rot. Bonds5

About 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide

2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 175554016) has the molecular formula C23H19Cl2F2N5O2 and a molecular weight of 506.34 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID175554016
Molecular FormulaC23H19Cl2F2N5O2
Molecular Weight506.34 g/mol
Exact Mass505.09
IUPAC Name2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)(O)C1(F)CC(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)=C(Cl)C=C1c1ccc(F)cc1
InChIInChI=1S/C23H19Cl2F2N5O2/c1-22(2,34)23(27)11-16(18(24)10-17(23)13-3-5-14(26)6-4-13)21(33)31-15-9-19(25)20(28-12-15)32-29-7-8-30-32/h3-10,12,34H,11H2,1-2H3,(H,31,33)
InChIKeyALSIIQGPYGUZEV-UHFFFAOYSA-N
XLogP4.85
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.34
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide 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-5-fluoro-4-(4-fluorophenyl)-5-methoxy-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]cyclohexa-1,3-diene-1-carboxamide
CID 175554042
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 166462993
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285371
5-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-4-[4-fluoro-2-(methylamino)phenyl]benzamide
CID 166462855
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027
4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide
CID 166463060
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-[3-(trimethyl-λ4-sulfanyl)phenyl]pyrazole-4-carboxamide
CID 153295787
4-(2-chlorophenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-ethynyl-1-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide
CID 175554015
[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid
CID 175833527
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166462944
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-4-[2-(cyclopropylamino)-4-fluorophenyl]-5-fluorobenzamide
CID 166463000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide (CID 175554016) is 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide is CC(C)(O)C1(F)CC(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)=C(Cl)C=C1c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is ALSIIQGPYGUZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F2N5O2/c1-22(2,34)23(27)11-16(18(24)10-17(23)13-3-5-14(26)6-4-13)21(33)31-15-9-19(25)20(28-12-15)32-29-7-8-30-32/h3-10,12,34H,11H2,1-2H3,(H,31,33).
What are the key properties of 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide?
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 506.34 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 175554016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).