5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine

C21H18FN7 — CID 138522213

IUPAC5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCNc1ncnc2ccn(-c3cnc4nc(C)n(Cc5cccc(F)c5)c4c3)c12
InChIInChI=1S/C21H18FN7/c1-13-27-20-18(29(13)11-14-4-3-5-15(22)8-14)9-16(10-24-20)28-7-6-17-19(28)21(23-2)26-12-25-17/h3-10,12H,11H2,1-2H3,(H,23,25,26)
InChIKeyVDNQNNTZAUPREJ-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.70
Rot. Bonds4

About 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine

5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 138522213) has the molecular formula C21H18FN7 and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID138522213
Molecular FormulaC21H18FN7
Molecular Weight387.42 g/mol
Exact Mass387.16
IUPAC Name5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCNc1ncnc2ccn(-c3cnc4nc(C)n(Cc5cccc(F)c5)c4c3)c12
InChIInChI=1S/C21H18FN7/c1-13-27-20-18(29(13)11-14-4-3-5-15(22)8-14)9-16(10-24-20)28-7-6-17-19(28)21(23-2)26-12-25-17/h3-10,12H,11H2,1-2H3,(H,23,25,26)
InChIKeyVDNQNNTZAUPREJ-UHFFFAOYSA-N
XLogP3.70
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-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

1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methylimidazo[4,5-b]pyridine
CID 138522486
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
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533
1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridin-2-amine
CID 138522296
6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522314
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
1-[(3,5-difluorophenyl)methyl]-2-methoxy-6-pyrrolo[2,3-b]pyrazin-5-ylimidazo[4,5-b]pyridine
CID 138522284
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
1-[(3,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine
CID 138522407
1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine
CID 138522262

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine (CID 138522213) is 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine is CNc1ncnc2ccn(-c3cnc4nc(C)n(Cc5cccc(F)c5)c4c3)c12.
What is the InChIKey of 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is VDNQNNTZAUPREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7/c1-13-27-20-18(29(13)11-14-4-3-5-15(22)8-14)9-16(10-24-20)28-7-6-17-19(28)21(23-2)26-12-25-17/h3-10,12H,11H2,1-2H3,(H,23,25,26).
What are the key properties of 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine?
5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 387.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-N-methylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138522213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).