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

C34H24F6N4 — CID 59346179

IUPACN,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
SMILESCN(C)c1nc2c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccnc2n1-c1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C34H24F6N4/c1-43(2)32-42-30-27(23-13-15-25(21-9-5-3-6-10-21)28(19-23)33(35,36)37)17-18-41-31(30)44(32)24-14-16-26(22-11-7-4-8-12-22)29(20-24)34(38,39)40/h3-20H,1-2H3
InChIKeyFQHLNOOZCRFFKF-UHFFFAOYSA-N
MW602.58 g/mol
LogP9.53
Rot. Bonds5

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

N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 59346179) has the molecular formula C34H24F6N4 and a molecular weight of 602.58 g/mol. Its IUPAC name is N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID59346179
Molecular FormulaC34H24F6N4
Molecular Weight602.58 g/mol
Exact Mass602.19
IUPAC NameN,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
SMILESCN(C)c1nc2c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccnc2n1-c1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C34H24F6N4/c1-43(2)32-42-30-27(23-13-15-25(21-9-5-3-6-10-21)28(19-23)33(35,36)37)17-18-41-31(30)44(32)24-14-16-26(22-11-7-4-8-12-22)29(20-24)34(38,39)40/h3-20H,1-2H3
InChIKeyFQHLNOOZCRFFKF-UHFFFAOYSA-N
XLogP9.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.58
LogP ≤ 59.53
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[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine (CID 59346179) is N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine is CN(C)c1nc2c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccnc2n1-c1ccc(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is FQHLNOOZCRFFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F6N4/c1-43(2)32-42-30-27(23-13-15-25(21-9-5-3-6-10-21)28(19-23)33(35,36)37)17-18-41-31(30)44(32)24-14-16-26(22-11-7-4-8-12-22)29(20-24)34(38,39)40/h3-20H,1-2H3.
What are the key properties of N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 602.58 g/mol, XLogP of 9.53, 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[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 59346179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).