N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide

C17H15ClFIN4O2S — CID 59636524

IUPACN-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide
SMILESCn1cnc2c(Cl)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)nc21
InChIInChI=1S/C17H15ClFIN4O2S/c1-24-8-21-15-14(18)12(6-9-2-3-10(20)7-13(9)19)16(22-17(15)24)23-27(25,26)11-4-5-11/h2-3,7-8,11H,4-6H2,1H3,(H,22,23)
InChIKeyJQZWDWGVXHOMFJ-UHFFFAOYSA-N
MW520.76 g/mol
LogP3.86
Rot. Bonds5

About N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide

N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide (PubChem CID 59636524) has the molecular formula C17H15ClFIN4O2S and a molecular weight of 520.76 g/mol. Its IUPAC name is N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide
PubChem CID59636524
Molecular FormulaC17H15ClFIN4O2S
Molecular Weight520.76 g/mol
Exact Mass519.96
IUPAC NameN-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide
SMILESCn1cnc2c(Cl)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)nc21
InChIInChI=1S/C17H15ClFIN4O2S/c1-24-8-21-15-14(18)12(6-9-2-3-10(20)7-13(9)19)16(22-17(15)24)23-27(25,26)11-4-5-11/h2-3,7-8,11H,4-6H2,1H3,(H,22,23)
InChIKeyJQZWDWGVXHOMFJ-UHFFFAOYSA-N
XLogP3.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.76
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide?
The IUPAC name of N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide (CID 59636524) is N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide is Cn1cnc2c(Cl)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)nc21.
What is the InChIKey of N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide?
The InChIKey is JQZWDWGVXHOMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFIN4O2S/c1-24-8-21-15-14(18)12(6-9-2-3-10(20)7-13(9)19)16(22-17(15)24)23-27(25,26)11-4-5-11/h2-3,7-8,11H,4-6H2,1H3,(H,22,23).
What are the key properties of N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide?
N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide has a molecular weight of 520.76 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide is sourced from PubChem (CID 59636524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).