6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

C23H25F3N4O5S — CID 171553012

IUPAC6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(Oc3ncc(F)cc3OCC(C)(F)F)cn12
InChIInChI=1S/C23H25F3N4O5S/c1-14-19(20(31)29-22(2)6-8-36(32,33)9-7-22)28-18-5-4-16(12-30(14)18)35-21-17(10-15(24)11-27-21)34-13-23(3,25)26/h4-5,10-12H,6-9,13H2,1-3H3,(H,29,31)
InChIKeyACACCPSVNRYELV-UHFFFAOYSA-N
MW526.54 g/mol
LogP3.70
Rot. Bonds7

About 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171553012) has the molecular formula C23H25F3N4O5S and a molecular weight of 526.54 g/mol. Its IUPAC name is 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID171553012
Molecular FormulaC23H25F3N4O5S
Molecular Weight526.54 g/mol
Exact Mass526.15
IUPAC Name6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(Oc3ncc(F)cc3OCC(C)(F)F)cn12
InChIInChI=1S/C23H25F3N4O5S/c1-14-19(20(31)29-22(2)6-8-36(32,33)9-7-22)28-18-5-4-16(12-30(14)18)35-21-17(10-15(24)11-27-21)34-13-23(3,25)26/h4-5,10-12H,6-9,13H2,1-3H3,(H,29,31)
InChIKeyACACCPSVNRYELV-UHFFFAOYSA-N
XLogP3.70
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 171553012) is 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(Oc3ncc(F)cc3OCC(C)(F)F)cn12.
What is the InChIKey of 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ACACCPSVNRYELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O5S/c1-14-19(20(31)29-22(2)6-8-36(32,33)9-7-22)28-18-5-4-16(12-30(14)18)35-21-17(10-15(24)11-27-21)34-13-23(3,25)26/h4-5,10-12H,6-9,13H2,1-3H3,(H,29,31).
What are the key properties of 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 526.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,2-difluoropropoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171553012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).