2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

C21H21F3N4O3 — CID 118385328

IUPAC2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(C(=O)NN3CCOCC3)n2c1
InChIInChI=1S/C21H21F3N4O3/c1-12-9-17(31-11-14-15(22)3-4-16(23)18(14)24)20-25-13(2)19(28(20)10-12)21(29)26-27-5-7-30-8-6-27/h3-4,9-10H,5-8,11H2,1-2H3,(H,26,29)
InChIKeyQGFKWQPQFDKWLF-UHFFFAOYSA-N
MW434.42 g/mol
LogP2.92
Rot. Bonds5

About 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118385328) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118385328
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC Name2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(C(=O)NN3CCOCC3)n2c1
InChIInChI=1S/C21H21F3N4O3/c1-12-9-17(31-11-14-15(22)3-4-16(23)18(14)24)20-25-13(2)19(28(20)10-12)21(29)26-27-5-7-30-8-6-27/h3-4,9-10H,5-8,11H2,1-2H3,(H,26,29)
InChIKeyQGFKWQPQFDKWLF-UHFFFAOYSA-N
XLogP2.92
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

US10399985, Example 39
CID 118288256
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 5340453
(12S)-N,N,4,5-tetramethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11450928
(12S)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11485439
(9S)-8,9-Dihydro-N,2,3-trimethyl-9-phenyl-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729705
9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729813
N,N,2,3-Tetramethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730168
(12S)-12-(2-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23730527
(12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23730529
9-(4-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730960
3-(But-2-ynoyl)-N,N,2-trimethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730964
N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23731288

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 118385328) is 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(C(=O)NN3CCOCC3)n2c1.
What is the InChIKey of 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QGFKWQPQFDKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-12-9-17(31-11-14-15(22)3-4-16(23)18(14)24)20-25-13(2)19(28(20)10-12)21(29)26-27-5-7-30-8-6-27/h3-4,9-10H,5-8,11H2,1-2H3,(H,26,29).
What are the key properties of 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118385328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).