N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine

C44H32Cl4F6N12 — CID 87778167

IUPACN-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCN(c2ccc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)N(CCNc2ccc(C(F)(F)F)cn2)c2ccc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C44H32Cl4F6N12/c45-27-3-5-29(33(47)21-27)39-31(41-57-13-14-58-41)7-11-37(63-39)65(19-17-55-35-9-1-25(23-61-35)43(49,50)51)66(20-18-56-36-10-2-26(24-62-36)44(52,53)54)38-12-8-32(42-59-15-16-60-42)40(64-38)30-6-4-28(46)22-34(30)48/h1-16,21-24H,17-20H2,(H,55,61)(H,56,62)(H,57,58)(H,59,60)
InChIKeyXEHBLSNGKYFRSR-UHFFFAOYSA-N
MW984.62 g/mol
LogP12.48
Rot. Bonds15

About N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 87778167) has the molecular formula C44H32Cl4F6N12 and a molecular weight of 984.62 g/mol. Its IUPAC name is N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID87778167
Molecular FormulaC44H32Cl4F6N12
Molecular Weight984.62 g/mol
Exact Mass982.15
IUPAC NameN-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCN(c2ccc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)N(CCNc2ccc(C(F)(F)F)cn2)c2ccc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C44H32Cl4F6N12/c45-27-3-5-29(33(47)21-27)39-31(41-57-13-14-58-41)7-11-37(63-39)65(19-17-55-35-9-1-25(23-61-35)43(49,50)51)66(20-18-56-36-10-2-26(24-62-36)44(52,53)54)38-12-8-32(42-59-15-16-60-42)40(64-38)30-6-4-28(46)22-34(30)48/h1-16,21-24H,17-20H2,(H,55,61)(H,56,62)(H,57,58)(H,59,60)
InChIKeyXEHBLSNGKYFRSR-UHFFFAOYSA-N
XLogP12.48
TPSA139.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.62
LogP ≤ 512.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 87778167) is N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCCN(c2ccc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)N(CCNc2ccc(C(F)(F)F)cn2)c2ccc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1.
What is the InChIKey of N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XEHBLSNGKYFRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32Cl4F6N12/c45-27-3-5-29(33(47)21-27)39-31(41-57-13-14-58-41)7-11-37(63-39)65(19-17-55-35-9-1-25(23-61-35)43(49,50)51)66(20-18-56-36-10-2-26(24-62-36)44(52,53)54)38-12-8-32(42-59-15-16-60-42)40(64-38)30-6-4-28(46)22-34(30)48/h1-16,21-24H,17-20H2,(H,55,61)(H,56,62)(H,57,58)(H,59,60).
What are the key properties of N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 984.62 g/mol, XLogP of 12.48, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 87778167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).