4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

C46H30F10N8 — CID 87930779

IUPAC4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(Nc2cc(-c3ccnc(Nc4cccc(C(F)(F)F)c4)c3)ccn2)c1.Fc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)c(F)c4)c3)ccn2)cc1F
InChIInChI=1S/C24H16F6N4.C22H14F4N4/c25-23(26,27)17-3-1-5-19(13-17)33-21-11-15(7-9-31-21)16-8-10-32-22(12-16)34-20-6-2-4-18(14-20)24(28,29)30;23-17-3-1-15(11-19(17)25)29-21-9-13(5-7-27-21)14-6-8-28-22(10-14)30-16-2-4-18(24)20(26)12-16/h1-14H,(H,31,33)(H,32,34);1-12H,(H,27,29)(H,28,30)
InChIKeyQULJUIGPUAVLKZ-UHFFFAOYSA-N
MW884.78 g/mol
LogP13.86
Rot. Bonds10

About 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 87930779) has the molecular formula C46H30F10N8 and a molecular weight of 884.78 g/mol. Its IUPAC name is 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID87930779
Molecular FormulaC46H30F10N8
Molecular Weight884.78 g/mol
Exact Mass884.24
IUPAC Name4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(Nc2cc(-c3ccnc(Nc4cccc(C(F)(F)F)c4)c3)ccn2)c1.Fc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)c(F)c4)c3)ccn2)cc1F
InChIInChI=1S/C24H16F6N4.C22H14F4N4/c25-23(26,27)17-3-1-5-19(13-17)33-21-11-15(7-9-31-21)16-8-10-32-22(12-16)34-20-6-2-4-18(14-20)24(28,29)30;23-17-3-1-15(11-19(17)25)29-21-9-13(5-7-27-21)14-6-8-28-22(10-14)30-16-2-4-18(24)20(26)12-16/h1-14H,(H,31,33)(H,32,34);1-12H,(H,27,29)(H,28,30)
InChIKeyQULJUIGPUAVLKZ-UHFFFAOYSA-N
XLogP13.86
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.78
LogP ≤ 513.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine 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 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 87930779) is 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is FC(F)(F)c1cccc(Nc2cc(-c3ccnc(Nc4cccc(C(F)(F)F)c4)c3)ccn2)c1.Fc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)c(F)c4)c3)ccn2)cc1F.
What is the InChIKey of 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is QULJUIGPUAVLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N4.C22H14F4N4/c25-23(26,27)17-3-1-5-19(13-17)33-21-11-15(7-9-31-21)16-8-10-32-22(12-16)34-20-6-2-4-18(14-20)24(28,29)30;23-17-3-1-15(11-19(17)25)29-21-9-13(5-7-27-21)14-6-8-28-22(10-14)30-16-2-4-18(24)20(26)12-16/h1-14H,(H,31,33)(H,32,34);1-12H,(H,27,29)(H,28,30).
What are the key properties of 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 884.78 g/mol, XLogP of 13.86, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluoroanilino)-4-pyridinyl]-N-(3,4-difluorophenyl)pyridin-2-amine;4-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 87930779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).