5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

C19H17FN6O2S — CID 134474700

IUPAC5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3ccc(F)cn3)cc(Nc3ccccc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C19H17FN6O2S/c1-11-22-18-14(24-13-5-3-4-6-15(13)29(2,27)28)9-17(26-19(18)23-11)25-16-8-7-12(20)10-21-16/h3-10H,1-2H3,(H3,21,22,23,24,25,26)
InChIKeyTULYBSQIYXBDDU-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.69
Rot. Bonds5

About 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134474700) has the molecular formula C19H17FN6O2S and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134474700
Molecular FormulaC19H17FN6O2S
Molecular Weight412.45 g/mol
Exact Mass412.11
IUPAC Name5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3ccc(F)cn3)cc(Nc3ccccc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C19H17FN6O2S/c1-11-22-18-14(24-13-5-3-4-6-15(13)29(2,27)28)9-17(26-19(18)23-11)25-16-8-7-12(20)10-21-16/h3-10H,1-2H3,(H3,21,22,23,24,25,26)
InChIKeyTULYBSQIYXBDDU-UHFFFAOYSA-N
XLogP3.69
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134474700) is 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1nc2nc(Nc3ccc(F)cn3)cc(Nc3ccccc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is TULYBSQIYXBDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2S/c1-11-22-18-14(24-13-5-3-4-6-15(13)29(2,27)28)9-17(26-19(18)23-11)25-16-8-7-12(20)10-21-16/h3-10H,1-2H3,(H3,21,22,23,24,25,26).
What are the key properties of 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 412.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134474700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).