N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine

C26H18ClF4N5 — CID 16745084

IUPACN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESFc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(Nc2nc3ccncc3[nH]2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C26H18ClF4N5/c27-19-6-7-23(33-14-19)25(13-16-4-2-1-3-5-16,17-10-18(26(29,30)31)12-20(28)11-17)36-24-34-21-8-9-32-15-22(21)35-24/h1-12,14-15H,13H2,(H2,34,35,36)
InChIKeyFIVSVBNMAMASJM-UHFFFAOYSA-N
MW511.91 g/mol
LogP6.76
Rot. Bonds6

About N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 16745084) has the molecular formula C26H18ClF4N5 and a molecular weight of 511.91 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine
PubChem CID16745084
Molecular FormulaC26H18ClF4N5
Molecular Weight511.91 g/mol
Exact Mass511.12
IUPAC NameN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESFc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(Nc2nc3ccncc3[nH]2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C26H18ClF4N5/c27-19-6-7-23(33-14-19)25(13-16-4-2-1-3-5-16,17-10-18(26(29,30)31)12-20(28)11-17)36-24-34-21-8-9-32-15-22(21)35-24/h1-12,14-15H,13H2,(H2,34,35,36)
InChIKeyFIVSVBNMAMASJM-UHFFFAOYSA-N
XLogP6.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.91
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]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 N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine (CID 16745084) is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine is Fc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(Nc2nc3ccncc3[nH]2)c2ccc(Cl)cn2)c1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is FIVSVBNMAMASJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF4N5/c27-19-6-7-23(33-14-19)25(13-16-4-2-1-3-5-16,17-10-18(26(29,30)31)12-20(28)11-17)36-24-34-21-8-9-32-15-22(21)35-24/h1-12,14-15H,13H2,(H2,34,35,36).
What are the key properties of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 511.91 g/mol, XLogP of 6.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 16745084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).