2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide

C20H18ClN7O3S2 — CID 4014354

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ncc(Cl)cc4[nH]3)cc2)nc(C)n1
InChIInChI=1S/C20H18ClN7O3S2/c1-11-7-17(24-12(2)23-11)28-33(30,31)15-5-3-14(4-6-15)25-18(29)10-32-20-26-16-8-13(21)9-22-19(16)27-20/h3-9H,10H2,1-2H3,(H,25,29)(H,22,26,27)(H,23,24,28)
InChIKeyDCLMXVIZNXHKQF-UHFFFAOYSA-N
MW504.00 g/mol
LogP3.55
Rot. Bonds7

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 4014354) has the molecular formula C20H18ClN7O3S2 and a molecular weight of 504.00 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID4014354
Molecular FormulaC20H18ClN7O3S2
Molecular Weight504.00 g/mol
Exact Mass503.06
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ncc(Cl)cc4[nH]3)cc2)nc(C)n1
InChIInChI=1S/C20H18ClN7O3S2/c1-11-7-17(24-12(2)23-11)28-33(30,31)15-5-3-14(4-6-15)25-18(29)10-32-20-26-16-8-13(21)9-22-19(16)27-20/h3-9H,10H2,1-2H3,(H,25,29)(H,22,26,27)(H,23,24,28)
InChIKeyDCLMXVIZNXHKQF-UHFFFAOYSA-N
XLogP3.55
TPSA142.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.00
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide (CID 4014354) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ncc(Cl)cc4[nH]3)cc2)nc(C)n1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is DCLMXVIZNXHKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O3S2/c1-11-7-17(24-12(2)23-11)28-33(30,31)15-5-3-14(4-6-15)25-18(29)10-32-20-26-16-8-13(21)9-22-19(16)27-20/h3-9H,10H2,1-2H3,(H,25,29)(H,22,26,27)(H,23,24,28).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 504.00 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4014354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).