3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine

C27H32N4O2 — CID 150148883

IUPAC3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine
SMILES[H]/N=c1/n(C(C)c2ccc(C)cc2)c2cccnc2n1[C@H](COCOC)Cc1ccc(C)cc1
InChIInChI=1S/C27H32N4O2/c1-19-7-11-22(12-8-19)16-24(17-33-18-32-4)31-26-25(6-5-15-29-26)30(27(31)28)21(3)23-13-9-20(2)10-14-23/h5-15,21,24,28H,16-18H2,1-4H3/b28-27-/t21?,24-/m0/s1
InChIKeyFEVLZTYQOHASIC-OEKNPMNISA-N
MW444.58 g/mol
LogP4.95
Rot. Bonds9

About 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine

3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine (PubChem CID 150148883) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine.

Molecular Properties

Compound Name3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine
PubChem CID150148883
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine
SMILES[H]/N=c1/n(C(C)c2ccc(C)cc2)c2cccnc2n1[C@H](COCOC)Cc1ccc(C)cc1
InChIInChI=1S/C27H32N4O2/c1-19-7-11-22(12-8-19)16-24(17-33-18-32-4)31-26-25(6-5-15-29-26)30(27(31)28)21(3)23-13-9-20(2)10-14-23/h5-15,21,24,28H,16-18H2,1-4H3/b28-27-/t21?,24-/m0/s1
InChIKeyFEVLZTYQOHASIC-OEKNPMNISA-N
XLogP4.95
TPSA65.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine 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 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine?
The IUPAC name of 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine (CID 150148883) is 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine.
What is the SMILES notation for 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine?
The canonical SMILES for 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine is [H]/N=c1/n(C(C)c2ccc(C)cc2)c2cccnc2n1[C@H](COCOC)Cc1ccc(C)cc1.
What is the InChIKey of 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine?
The InChIKey is FEVLZTYQOHASIC-OEKNPMNISA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-7-11-22(12-8-19)16-24(17-33-18-32-4)31-26-25(6-5-15-29-26)30(27(31)28)21(3)23-13-9-20(2)10-14-23/h5-15,21,24,28H,16-18H2,1-4H3/b28-27-/t21?,24-/m0/s1.
What are the key properties of 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine?
3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine has a molecular weight of 444.58 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(methoxymethoxy)-3-(4-methylphenyl)propan-2-yl]-1-[1-(4-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-imine is sourced from PubChem (CID 150148883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).