N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine

C24H21FN4O — CID 56673466

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine
SMILESCOc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1ccnnc1
InChIInChI=1S/C24H21FN4O/c1-16(17-3-7-21(25)8-4-17)29-24-10-6-19(14-26-24)18-5-9-22(23(13-18)30-2)20-11-12-27-28-15-20/h3-16H,1-2H3,(H,26,29)/t16-/m0/s1
InChIKeyUAHGFKVJYBCXCK-INIZCTEOSA-N
MW400.46 g/mol
LogP5.53
Rot. Bonds6

About N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine

N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine (PubChem CID 56673466) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine
PubChem CID56673466
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine
SMILESCOc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1ccnnc1
InChIInChI=1S/C24H21FN4O/c1-16(17-3-7-21(25)8-4-17)29-24-10-6-19(14-26-24)18-5-9-22(23(13-18)30-2)20-11-12-27-28-15-20/h3-16H,1-2H3,(H,26,29)/t16-/m0/s1
InChIKeyUAHGFKVJYBCXCK-INIZCTEOSA-N
XLogP5.53
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)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

Related Compounds

(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-[2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-amine
CID 10474096
N-Butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-pyridinamine
CID 10293771
8-(2-Methoxyphenyl)-N-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 57502377
3-(3-Methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392567
3-(3-Methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392573
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742111
N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-5'-methoxy-2,4'-bipyridine-2',6-diamine
CID 66937200
5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3234743
5-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3235448
N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 46742342
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]pyridin-2-amine
CID 56669957
5-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 118719628

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine (CID 56673466) is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine is COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1ccnnc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine?
The InChIKey is UAHGFKVJYBCXCK-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-16(17-3-7-21(25)8-4-17)29-24-10-6-19(14-26-24)18-5-9-22(23(13-18)30-2)20-11-12-27-28-15-20/h3-16H,1-2H3,(H,26,29)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine?
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine has a molecular weight of 400.46 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(3-methoxy-4-pyridazin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 56673466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).