N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide

C23H24F4N4O5S — CID 171552793

IUPACN-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC2CCS(=O)(=O)C(C)(C)C2)nc2ccc(Oc3ncc(F)cc3OCC(F)(F)F)cn12
InChIInChI=1S/C23H24F4N4O5S/c1-13-19(20(32)29-15-6-7-37(33,34)22(2,3)9-15)30-18-5-4-16(11-31(13)18)36-21-17(8-14(24)10-28-21)35-12-23(25,26)27/h4-5,8,10-11,15H,6-7,9,12H2,1-3H3,(H,29,32)
InChIKeyAIIVQVQQBRDDFC-UHFFFAOYSA-N
MW544.53 g/mol
LogP4.00
Rot. Bonds6

About N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide

N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171552793) has the molecular formula C23H24F4N4O5S and a molecular weight of 544.53 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID171552793
Molecular FormulaC23H24F4N4O5S
Molecular Weight544.53 g/mol
Exact Mass544.14
IUPAC NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC2CCS(=O)(=O)C(C)(C)C2)nc2ccc(Oc3ncc(F)cc3OCC(F)(F)F)cn12
InChIInChI=1S/C23H24F4N4O5S/c1-13-19(20(32)29-15-6-7-37(33,34)22(2,3)9-15)30-18-5-4-16(11-31(13)18)36-21-17(8-14(24)10-28-21)35-12-23(25,26)27/h4-5,8,10-11,15H,6-7,9,12H2,1-3H3,(H,29,32)
InChIKeyAIIVQVQQBRDDFC-UHFFFAOYSA-N
XLogP4.00
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 171552793) is N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1c(C(=O)NC2CCS(=O)(=O)C(C)(C)C2)nc2ccc(Oc3ncc(F)cc3OCC(F)(F)F)cn12.
What is the InChIKey of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is AIIVQVQQBRDDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O5S/c1-13-19(20(32)29-15-6-7-37(33,34)22(2,3)9-15)30-18-5-4-16(11-31(13)18)36-21-17(8-14(24)10-28-21)35-12-23(25,26)27/h4-5,8,10-11,15H,6-7,9,12H2,1-3H3,(H,29,32).
What are the key properties of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 544.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171552793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).