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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

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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