N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H24N6O — CID 118717940

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H24N6O/c1-16-14-28(15-24-16)20-11-10-18(13-21(20)30-2)25-23-26-22-19(9-6-12-29(22)27-23)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15,19H,6,9,12H2,1-2H3,(H,25,27)
InChIKeyOSZMZSCLTXNQBE-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.45
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 118717940) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID118717940
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H24N6O/c1-16-14-28(15-24-16)20-11-10-18(13-21(20)30-2)25-23-26-22-19(9-6-12-29(22)27-23)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15,19H,6,9,12H2,1-2H3,(H,25,27)
InChIKeyOSZMZSCLTXNQBE-UHFFFAOYSA-N
XLogP4.45
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]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

E-2212
CID 46854987
Bms-932481
CID 91844660
AZ191
CID 72716071
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
CID 57392473
5-methyl-N-[3-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11174936
3-[1-(4-fluorophenyl)ethyl]-5-{(E)-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]vinyl}-4H-[1,2,4]triazole
CID 24852675
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[1-(3,4,5-trifluorophenyl)ethyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633502
8-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633863
gamma-Secretase modulator 1
CID 42647277
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 44194062
[1-(3-Chloro-benzyl)-1H-[1,2,4]triazol-3-yl]-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenyl]-amine
CID 46216603

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 118717940) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(Nc2nc3n(n2)CCCC3c2ccccc2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OSZMZSCLTXNQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-14-28(15-24-16)20-11-10-18(13-21(20)30-2)25-23-26-22-19(9-6-12-29(22)27-23)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15,19H,6,9,12H2,1-2H3,(H,25,27).
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 400.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 118717940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).