methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate

C25H18F2N6O3 — CID 177316625

IUPACmethyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
SMILESCOC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(OC(F)F)cn4)nc32)cc1
InChIInChI=1S/C25H18F2N6O3/c1-35-24(34)14-4-6-15(7-5-14)33-22(17-3-2-12-29-21(17)28)32-20-11-10-19(31-23(20)33)18-9-8-16(13-30-18)36-25(26)27/h2-13,25H,1H3,(H2,28,29)
InChIKeyLFCXEJAJYLHHLS-UHFFFAOYSA-N
MW488.45 g/mol
LogP4.51
Rot. Bonds6

About methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate

methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate (PubChem CID 177316625) has the molecular formula C25H18F2N6O3 and a molecular weight of 488.45 g/mol. Its IUPAC name is methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
PubChem CID177316625
Molecular FormulaC25H18F2N6O3
Molecular Weight488.45 g/mol
Exact Mass488.14
IUPAC Namemethyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
SMILESCOC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(OC(F)F)cn4)nc32)cc1
InChIInChI=1S/C25H18F2N6O3/c1-35-24(34)14-4-6-15(7-5-14)33-22(17-3-2-12-29-21(17)28)32-20-11-10-19(31-23(20)33)18-9-8-16(13-30-18)36-25(26)27/h2-13,25H,1H3,(H2,28,29)
InChIKeyLFCXEJAJYLHHLS-UHFFFAOYSA-N
XLogP4.51
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate
CID 171494970
4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-N-methoxybenzamide
CID 171069098
[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 177317078
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
CID 171069063
3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316904
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171599370
N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide
CID 58345295
3-[3-[4-(chloromethyl)phenyl]-5-(5-propan-2-yl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177317072
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649
3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171494268

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate?
The IUPAC name of methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate (CID 177316625) is methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate?
The canonical SMILES for methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate is COC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(OC(F)F)cn4)nc32)cc1.
What is the InChIKey of methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate?
The InChIKey is LFCXEJAJYLHHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N6O3/c1-35-24(34)14-4-6-15(7-5-14)33-22(17-3-2-12-29-21(17)28)32-20-11-10-19(31-23(20)33)18-9-8-16(13-30-18)36-25(26)27/h2-13,25H,1H3,(H2,28,29).
What are the key properties of methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate?
methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate has a molecular weight of 488.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate is sourced from PubChem (CID 177316625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).