N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine

C36H28F6N4 — CID 59346166

IUPACN,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1cc(-c2ccnc3c2nc(N(C)C)n3-c2cc(C)c(-c3ccccc3)c(C(F)(F)F)c2)cc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C36H28F6N4/c1-21-17-25(19-28(35(37,38)39)30(21)23-11-7-5-8-12-23)27-15-16-43-33-32(27)44-34(45(3)4)46(33)26-18-22(2)31(24-13-9-6-10-14-24)29(20-26)36(40,41)42/h5-20H,1-4H3
InChIKeyAPDKJZYSNJYGAH-UHFFFAOYSA-N
MW630.64 g/mol
LogP10.14
Rot. Bonds5

About N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine

N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 59346166) has the molecular formula C36H28F6N4 and a molecular weight of 630.64 g/mol. Its IUPAC name is N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID59346166
Molecular FormulaC36H28F6N4
Molecular Weight630.64 g/mol
Exact Mass630.22
IUPAC NameN,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1cc(-c2ccnc3c2nc(N(C)C)n3-c2cc(C)c(-c3ccccc3)c(C(F)(F)F)c2)cc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C36H28F6N4/c1-21-17-25(19-28(35(37,38)39)30(21)23-11-7-5-8-12-23)27-15-16-43-33-32(27)44-34(45(3)4)46(33)26-18-22(2)31(24-13-9-6-10-14-24)29(20-26)36(40,41)42/h5-20H,1-4H3
InChIKeyAPDKJZYSNJYGAH-UHFFFAOYSA-N
XLogP10.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.64
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine (CID 59346166) is N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine is Cc1cc(-c2ccnc3c2nc(N(C)C)n3-c2cc(C)c(-c3ccccc3)c(C(F)(F)F)c2)cc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is APDKJZYSNJYGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F6N4/c1-21-17-25(19-28(35(37,38)39)30(21)23-11-7-5-8-12-23)27-15-16-43-33-32(27)44-34(45(3)4)46(33)26-18-22(2)31(24-13-9-6-10-14-24)29(20-26)36(40,41)42/h5-20H,1-4H3.
What are the key properties of N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 630.64 g/mol, XLogP of 10.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 59346166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).