1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine

C20H15F2N7O — CID 138522296

IUPAC1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ncnc2ccn(-c3cnc4nc(N)n(Cc5cc(F)cc(F)c5)c4c3)c12
InChIInChI=1S/C20H15F2N7O/c1-30-19-17-15(25-10-26-19)2-3-28(17)14-7-16-18(24-8-14)27-20(23)29(16)9-11-4-12(21)6-13(22)5-11/h2-8,10H,9H2,1H3,(H2,23,24,27)
InChIKeyOWQDEYITIXVRRH-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.08
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine

1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 138522296) has the molecular formula C20H15F2N7O and a molecular weight of 407.38 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID138522296
Molecular FormulaC20H15F2N7O
Molecular Weight407.38 g/mol
Exact Mass407.13
IUPAC Name1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ncnc2ccn(-c3cnc4nc(N)n(Cc5cc(F)cc(F)c5)c4c3)c12
InChIInChI=1S/C20H15F2N7O/c1-30-19-17-15(25-10-26-19)2-3-28(17)14-7-16-18(24-8-14)27-20(23)29(16)9-11-4-12(21)6-13(22)5-11/h2-8,10H,9H2,1H3,(H2,23,24,27)
InChIKeyOWQDEYITIXVRRH-UHFFFAOYSA-N
XLogP3.08
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methylimidazo[4,5-b]pyridine
CID 138522486
1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine
CID 138522259
6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522314
1-[(3,5-difluorophenyl)methyl]-2-methoxy-6-pyrrolo[2,3-b]pyrazin-5-ylimidazo[4,5-b]pyridine
CID 138522284
5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 138522213
6-[3-(difluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl]-1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522329
1-[(3,5-difluorophenyl)methyl]-2-methyl-6-[3-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]imidazo[4,5-b]pyridine
CID 138522363
4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]-2,2-dimethylbutanoic acid
CID 172743830
4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 138522562
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
N-(2,2-difluoroethyl)-5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-amine
CID 138522379
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine (CID 138522296) is 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine is COc1ncnc2ccn(-c3cnc4nc(N)n(Cc5cc(F)cc(F)c5)c4c3)c12.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is OWQDEYITIXVRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7O/c1-30-19-17-15(25-10-26-19)2-3-28(17)14-7-16-18(24-8-14)27-20(23)29(16)9-11-4-12(21)6-13(22)5-11/h2-8,10H,9H2,1H3,(H2,23,24,27).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine?
1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 407.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 138522296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).