N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine

C29H31N5O — CID 67415643

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3c(C)c(-c4ccc(CC(C)C)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C29H31N5O/c1-19(2)15-22-8-10-23(11-9-22)28-21(4)34-14-6-7-25(29(34)32-28)31-24-12-13-26(27(16-24)35-5)33-17-20(3)30-18-33/h6-14,16-19,31H,15H2,1-5H3
InChIKeyKJEJKMHZYXSOAV-UHFFFAOYSA-N
MW465.60 g/mol
LogP6.75
Rot. Bonds7

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 67415643) has the molecular formula C29H31N5O and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID67415643
Molecular FormulaC29H31N5O
Molecular Weight465.60 g/mol
Exact Mass465.25
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3c(C)c(-c4ccc(CC(C)C)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C29H31N5O/c1-19(2)15-22-8-10-23(11-9-22)28-21(4)34-14-6-7-25(29(34)32-28)31-24-12-13-26(27(16-24)35-5)33-17-20(3)30-18-33/h6-14,16-19,31H,15H2,1-5H3
InChIKeyKJEJKMHZYXSOAV-UHFFFAOYSA-N
XLogP6.75
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 67416890
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70271003
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 67414569
6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol
CID 91195325
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339677
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 67414837
methyl 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carboxylate
CID 70271568
5-chloro-1-[(1S)-1-(4-iodophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70269836
4-bromo-2-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
CID 70269858
2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273914

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 67415643) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine is COc1cc(Nc2cccn3c(C)c(-c4ccc(CC(C)C)cc4)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is KJEJKMHZYXSOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O/c1-19(2)15-22-8-10-23(11-9-22)28-21(4)34-14-6-7-25(29(34)32-28)31-24-12-13-26(27(16-24)35-5)33-17-20(3)30-18-33/h6-14,16-19,31H,15H2,1-5H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 465.60 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 67415643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).