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

C17H17ClFN5O2S — CID 123862010

IUPACN-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide
SMILESCc1ccc(Nc2c(NS(=O)(=O)C3CC3)nc3c(ncn3C)c2Cl)c(F)c1
InChIInChI=1S/C17H17ClFN5O2S/c1-9-3-6-12(11(19)7-9)21-14-13(18)15-17(24(2)8-20-15)22-16(14)23-27(25,26)10-4-5-10/h3,6-8,10,21H,4-5H2,1-2H3,(H,22,23)
InChIKeyUBSRIBYRCXEHIR-UHFFFAOYSA-N
MW409.87 g/mol
LogP3.72
Rot. Bonds5

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

N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide (PubChem CID 123862010) has the molecular formula C17H17ClFN5O2S and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide
PubChem CID123862010
Molecular FormulaC17H17ClFN5O2S
Molecular Weight409.87 g/mol
Exact Mass409.08
IUPAC NameN-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide
SMILESCc1ccc(Nc2c(NS(=O)(=O)C3CC3)nc3c(ncn3C)c2Cl)c(F)c1
InChIInChI=1S/C17H17ClFN5O2S/c1-9-3-6-12(11(19)7-9)21-14-13(18)15-17(24(2)8-20-15)22-16(14)23-27(25,26)10-4-5-10/h3,6-8,10,21H,4-5H2,1-2H3,(H,22,23)
InChIKeyUBSRIBYRCXEHIR-UHFFFAOYSA-N
XLogP3.72
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide?
The IUPAC name of N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide (CID 123862010) is N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide is Cc1ccc(Nc2c(NS(=O)(=O)C3CC3)nc3c(ncn3C)c2Cl)c(F)c1.
What is the InChIKey of N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide?
The InChIKey is UBSRIBYRCXEHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O2S/c1-9-3-6-12(11(19)7-9)21-14-13(18)15-17(24(2)8-20-15)22-16(14)23-27(25,26)10-4-5-10/h3,6-8,10,21H,4-5H2,1-2H3,(H,22,23).
What are the key properties of N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide?
N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide has a molecular weight of 409.87 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-6-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanesulfonamide is sourced from PubChem (CID 123862010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).