3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C26H25ClF3N5O4S — CID 25190106

IUPAC3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC(C(=O)NCCCN1CCOCC1)c1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C26H25ClF3N5O4S/c27-22-21(32-23-17(26(28,29)30)14-16(15-35(22)23)18-4-1-10-39-18)25(37)33-20(19-5-2-13-40-19)24(36)31-6-3-7-34-8-11-38-12-9-34/h1-2,4-5,10,13-15,20H,3,6-9,11-12H2,(H,31,36)(H,33,37)
InChIKeyNICAZAQHXORYAT-UHFFFAOYSA-N
MW596.03 g/mol
LogP4.64
Rot. Bonds9

About 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25190106) has the molecular formula C26H25ClF3N5O4S and a molecular weight of 596.03 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25190106
Molecular FormulaC26H25ClF3N5O4S
Molecular Weight596.03 g/mol
Exact Mass595.13
IUPAC Name3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC(C(=O)NCCCN1CCOCC1)c1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C26H25ClF3N5O4S/c27-22-21(32-23-17(26(28,29)30)14-16(15-35(22)23)18-4-1-10-39-18)25(37)33-20(19-5-2-13-40-19)24(36)31-6-3-7-34-8-11-38-12-9-34/h1-2,4-5,10,13-15,20H,3,6-9,11-12H2,(H,31,36)(H,33,37)
InChIKeyNICAZAQHXORYAT-UHFFFAOYSA-N
XLogP4.64
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.03
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-(furan-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189938
3-chloro-6-thiophen-3-yl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189991
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690078
3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid
CID 140539148
N-[1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55342022
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44602326
3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;morpholin-4-yl-[3-(nonylamino)azetidin-1-yl]methanone
CID 158429513
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 3719727
3-chloro-N-(2-morpholin-4-ylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1232648
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 25190106) is 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC(C(=O)NCCCN1CCOCC1)c1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NICAZAQHXORYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N5O4S/c27-22-21(32-23-17(26(28,29)30)14-16(15-35(22)23)18-4-1-10-39-18)25(37)33-20(19-5-2-13-40-19)24(36)31-6-3-7-34-8-11-38-12-9-34/h1-2,4-5,10,13-15,20H,3,6-9,11-12H2,(H,31,36)(H,33,37).
What are the key properties of 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 596.03 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25190106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).