6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

C25H27FN6O3S — CID 11398118

IUPAC6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4F)cc3[nH]2)c1
InChIInChI=1S/C25H27FN6O3S/c1-31-9-11-32(12-10-31)36(33,34)20-4-5-21(22(26)15-20)17-13-23-25(28-16-17)30-24(29-23)6-3-18-14-19(35-2)7-8-27-18/h4-5,7-8,13-16H,3,6,9-12H2,1-2H3,(H,28,29,30)
InChIKeyMCAXYBOJVGTFKA-UHFFFAOYSA-N
MW510.60 g/mol
LogP2.89
Rot. Bonds7

About 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 11398118) has the molecular formula C25H27FN6O3S and a molecular weight of 510.60 g/mol. Its IUPAC name is 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID11398118
Molecular FormulaC25H27FN6O3S
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4F)cc3[nH]2)c1
InChIInChI=1S/C25H27FN6O3S/c1-31-9-11-32(12-10-31)36(33,34)20-4-5-21(22(26)15-20)17-13-23-25(28-16-17)30-24(29-23)6-3-18-14-19(35-2)7-8-27-18/h4-5,7-8,13-16H,3,6,9-12H2,1-2H3,(H,28,29,30)
InChIKeyMCAXYBOJVGTFKA-UHFFFAOYSA-N
XLogP2.89
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 11398118) is 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4F)cc3[nH]2)c1.
What is the InChIKey of 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is MCAXYBOJVGTFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O3S/c1-31-9-11-32(12-10-31)36(33,34)20-4-5-21(22(26)15-20)17-13-23-25(28-16-17)30-24(29-23)6-3-18-14-19(35-2)7-8-27-18/h4-5,7-8,13-16H,3,6,9-12H2,1-2H3,(H,28,29,30).
What are the key properties of 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 510.60 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11398118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).