6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

C24H30ClF3N4O5S — CID 171552614

IUPAC6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC/C(Cl)=C\C(OCC(F)(F)F)=C(/N)Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(C)n2c1
InChIInChI=1S/C24H30ClF3N4O5S/c1-4-5-16(25)12-18(36-14-24(26,27)28)21(29)37-17-6-7-19-30-20(15(2)32(19)13-17)22(33)31-23(3)8-10-38(34,35)11-9-23/h6-7,12-13H,4-5,8-11,14,29H2,1-3H3,(H,31,33)/b16-12+,21-18-
InChIKeyHKSRMDGLCJKQQX-RUOGQWHWSA-N
MW579.04 g/mol
LogP4.35
Rot. Bonds9

About 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171552614) has the molecular formula C24H30ClF3N4O5S and a molecular weight of 579.04 g/mol. Its IUPAC name is 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID171552614
Molecular FormulaC24H30ClF3N4O5S
Molecular Weight579.04 g/mol
Exact Mass578.16
IUPAC Name6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC/C(Cl)=C\C(OCC(F)(F)F)=C(/N)Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(C)n2c1
InChIInChI=1S/C24H30ClF3N4O5S/c1-4-5-16(25)12-18(36-14-24(26,27)28)21(29)37-17-6-7-19-30-20(15(2)32(19)13-17)22(33)31-23(3)8-10-38(34,35)11-9-23/h6-7,12-13H,4-5,8-11,14,29H2,1-3H3,(H,31,33)/b16-12+,21-18-
InChIKeyHKSRMDGLCJKQQX-RUOGQWHWSA-N
XLogP4.35
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.04
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 171552614) is 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is CCC/C(Cl)=C\C(OCC(F)(F)F)=C(/N)Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)c(C)n2c1.
What is the InChIKey of 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HKSRMDGLCJKQQX-RUOGQWHWSA-N. The full InChI is InChI=1S/C24H30ClF3N4O5S/c1-4-5-16(25)12-18(36-14-24(26,27)28)21(29)37-17-6-7-19-30-20(15(2)32(19)13-17)22(33)31-23(3)8-10-38(34,35)11-9-23/h6-7,12-13H,4-5,8-11,14,29H2,1-3H3,(H,31,33)/b16-12+,21-18-.
What are the key properties of 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 579.04 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z,3E)-1-amino-4-chloro-2-(2,2,2-trifluoroethoxy)hepta-1,3-dienoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171552614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).