5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid

C21H24FN5O3S2 — CID 87616830

IUPAC5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)n(CC(C)C)c3n2)s1
InChIInChI=1S/C20H20FN5S.CH4O3S/c1-11(2)10-26-19-16(25-20(26)22)9-8-15(24-19)18-17(23-12(3)27-18)13-4-6-14(21)7-5-13;1-5(2,3)4/h4-9,11H,10H2,1-3H3,(H2,22,25);1H3,(H,2,3,4)
InChIKeyGETNZPVZGLLVMK-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.41
Rot. Bonds4

About 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid

5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid (PubChem CID 87616830) has the molecular formula C21H24FN5O3S2 and a molecular weight of 477.59 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
PubChem CID87616830
Molecular FormulaC21H24FN5O3S2
Molecular Weight477.59 g/mol
Exact Mass477.13
IUPAC Name5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)n(CC(C)C)c3n2)s1
InChIInChI=1S/C20H20FN5S.CH4O3S/c1-11(2)10-26-19-16(25-20(26)22)9-8-15(24-19)18-17(23-12(3)27-18)13-4-6-14(21)7-5-13;1-5(2,3)4/h4-9,11H,10H2,1-3H3,(H2,22,25);1H3,(H,2,3,4)
InChIKeyGETNZPVZGLLVMK-UHFFFAOYSA-N
XLogP4.41
TPSA123.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 87616634
6-[2-tert-butyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine;methanesulfonic acid
CID 87184473
3-butyl-5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
CID 87616607
[[5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]amino] methanesulfonate
CID 87616450
5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine;dihydrochloride
CID 68870770
5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-2-methylimidazo[4,5-b]pyridine;methanesulfonic acid
CID 87615869
[[5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-yl]amino]methanesulfonic acid
CID 175061112
2-(3-chlorobut-3-en-2-yl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 143004393
2-amino-5-[2-tert-butyl-4-(2,4-difluorophenyl)-1H-imidazol-5-yl]-N,N-dimethylimidazo[4,5-b]pyridine-3-sulfonamide;methanesulfonic acid
CID 87616648
4-[3-[(2R)-2-[(5-fluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335924
4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 15604480
ethyl 3-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrrolidine-1-carboxylate
CID 90261133

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid?
The IUPAC name of 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid (CID 87616830) is 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid?
The canonical SMILES for 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid is CS(=O)(=O)O.Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)n(CC(C)C)c3n2)s1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid?
The InChIKey is GETNZPVZGLLVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5S.CH4O3S/c1-11(2)10-26-19-16(25-20(26)22)9-8-15(24-19)18-17(23-12(3)27-18)13-4-6-14(21)7-5-13;1-5(2,3)4/h4-9,11H,10H2,1-3H3,(H2,22,25);1H3,(H,2,3,4).
What are the key properties of 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid?
5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid has a molecular weight of 477.59 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid is sourced from PubChem (CID 87616830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).