5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

C23H20ClFN4 — CID 56663090

IUPAC5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESCc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2Cl)cn1
InChIInChI=1S/C23H20ClFN4/c1-15-13-29(14-27-15)22-9-5-18(11-21(22)24)19-6-10-23(26-12-19)28-16(2)17-3-7-20(25)8-4-17/h3-14,16H,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyKSXKPSRWWDZCFL-INIZCTEOSA-N
MW406.89 g/mol
LogP6.21
Rot. Bonds5

About 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 56663090) has the molecular formula C23H20ClFN4 and a molecular weight of 406.89 g/mol. Its IUPAC name is 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID56663090
Molecular FormulaC23H20ClFN4
Molecular Weight406.89 g/mol
Exact Mass406.14
IUPAC Name5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESCc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2Cl)cn1
InChIInChI=1S/C23H20ClFN4/c1-15-13-29(14-27-15)22-9-5-18(11-21(22)24)19-6-10-23(26-12-19)28-16(2)17-3-7-20(25)8-4-17/h3-14,16H,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyKSXKPSRWWDZCFL-INIZCTEOSA-N
XLogP6.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]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 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (CID 56663090) is 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is Cc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2Cl)cn1.
What is the InChIKey of 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is KSXKPSRWWDZCFL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20ClFN4/c1-15-13-29(14-27-15)22-9-5-18(11-21(22)24)19-6-10-23(26-12-19)28-16(2)17-3-7-20(25)8-4-17/h3-14,16H,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 406.89 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 56663090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).