5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine

C24H23Cl2F4N5 — CID 164863034

IUPAC5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cnc(C(=C)N(C)CCC)c(Cl)c1)c1cnn(Cc2cccc(F)c2Cl)c1C(F)(F)F
InChIInChI=1S/C24H23Cl2F4N5/c1-5-9-34(4)15(3)22-19(25)10-17(11-31-22)33-14(2)18-12-32-35(23(18)24(28,29)30)13-16-7-6-8-20(27)21(16)26/h6-8,10-12,33H,2-3,5,9,13H2,1,4H3
InChIKeyOOPDOLQDFOHZGF-UHFFFAOYSA-N
MW528.38 g/mol
LogP7.19
Rot. Bonds9

About 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine

5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine (PubChem CID 164863034) has the molecular formula C24H23Cl2F4N5 and a molecular weight of 528.38 g/mol. Its IUPAC name is 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine
PubChem CID164863034
Molecular FormulaC24H23Cl2F4N5
Molecular Weight528.38 g/mol
Exact Mass527.13
IUPAC Name5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cnc(C(=C)N(C)CCC)c(Cl)c1)c1cnn(Cc2cccc(F)c2Cl)c1C(F)(F)F
InChIInChI=1S/C24H23Cl2F4N5/c1-5-9-34(4)15(3)22-19(25)10-17(11-31-22)33-14(2)18-12-32-35(23(18)24(28,29)30)13-16-7-6-8-20(27)21(16)26/h6-8,10-12,33H,2-3,5,9,13H2,1,4H3
InChIKeyOOPDOLQDFOHZGF-UHFFFAOYSA-N
XLogP7.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.38
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine 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

Arylpyrazole, 14
CID 44143414
Arylpyrazole, 15
CID 44143415
3-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine
CID 72195599
US20240018122, Example 181
CID 170666416
Arylpyrazole, 16
CID 44143416
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine
CID 16188430
1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(2,6-dimethyl-4-pyridinyl)piperazine
CID 16189824
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 16192055
2-(1-(4-chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)aniline
CID 44564574
2-(1-(3-chloro-4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)aniline
CID 44564575
3-N-[(2,6-dichloro-3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine
CID 72195866
N-[[3-(4-chlorophenyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546285

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine?
The IUPAC name of 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine (CID 164863034) is 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine.
What is the SMILES notation for 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine?
The canonical SMILES for 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine is C=C(Nc1cnc(C(=C)N(C)CCC)c(Cl)c1)c1cnn(Cc2cccc(F)c2Cl)c1C(F)(F)F.
What is the InChIKey of 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine?
The InChIKey is OOPDOLQDFOHZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2F4N5/c1-5-9-34(4)15(3)22-19(25)10-17(11-31-22)33-14(2)18-12-32-35(23(18)24(28,29)30)13-16-7-6-8-20(27)21(16)26/h6-8,10-12,33H,2-3,5,9,13H2,1,4H3.
What are the key properties of 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine?
5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine has a molecular weight of 528.38 g/mol, XLogP of 7.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenyl]-6-[1-[methyl(propyl)amino]ethenyl]pyridin-3-amine is sourced from PubChem (CID 164863034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).