5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide

C24H25ClF3N5O4S — CID 171655441

IUPAC5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nc3ccc(Oc4ncc(Cl)cc4OCC(F)F)nc3n2CC2(F)COC2)CCSCC1
InChIInChI=1S/C24H25ClF3N5O4S/c1-23(4-6-38-7-5-23)32-21(34)20-30-15-2-3-18(31-19(15)33(20)11-24(28)12-35-13-24)37-22-16(36-10-17(26)27)8-14(25)9-29-22/h2-3,8-9,17H,4-7,10-13H2,1H3,(H,32,34)
InChIKeySJFSHFXUTAIWFQ-UHFFFAOYSA-N
MW572.01 g/mol
LogP4.67
Rot. Bonds9

About 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide

5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 171655441) has the molecular formula C24H25ClF3N5O4S and a molecular weight of 572.01 g/mol. Its IUPAC name is 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID171655441
Molecular FormulaC24H25ClF3N5O4S
Molecular Weight572.01 g/mol
Exact Mass571.13
IUPAC Name5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nc3ccc(Oc4ncc(Cl)cc4OCC(F)F)nc3n2CC2(F)COC2)CCSCC1
InChIInChI=1S/C24H25ClF3N5O4S/c1-23(4-6-38-7-5-23)32-21(34)20-30-15-2-3-18(31-19(15)33(20)11-24(28)12-35-13-24)37-22-16(36-10-17(26)27)8-14(25)9-29-22/h2-3,8-9,17H,4-7,10-13H2,1H3,(H,32,34)
InChIKeySJFSHFXUTAIWFQ-UHFFFAOYSA-N
XLogP4.67
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.01
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide 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 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide (CID 171655441) is 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide is CC1(NC(=O)c2nc3ccc(Oc4ncc(Cl)cc4OCC(F)F)nc3n2CC2(F)COC2)CCSCC1.
What is the InChIKey of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is SJFSHFXUTAIWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O4S/c1-23(4-6-38-7-5-23)32-21(34)20-30-15-2-3-18(31-19(15)33(20)11-24(28)12-35-13-24)37-22-16(36-10-17(26)27)8-14(25)9-29-22/h2-3,8-9,17H,4-7,10-13H2,1H3,(H,32,34).
What are the key properties of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?
5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 572.01 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 171655441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).