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(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide

C28H28FN5O2 — CID 24852564

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cc(/C=C2\CCCn3c2nc(C(=O)N(C)C)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H28FN5O2/c1-18-16-33(17-30-18)23-12-7-19(15-24(23)36-4)14-21-6-5-13-34-26(20-8-10-22(29)11-9-20)25(31-27(21)34)28(35)32(2)3/h7-12,14-17H,5-6,13H2,1-4H3/b21-14+
InChIKeyXKCHWONXINEIKC-KGENOOAVSA-N
MW485.56 g/mol
LogP5.23
Rot. Bonds5

About (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide

(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 24852564) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID24852564
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cc(/C=C2\CCCn3c2nc(C(=O)N(C)C)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H28FN5O2/c1-18-16-33(17-30-18)23-12-7-19(15-24(23)36-4)14-21-6-5-13-34-26(20-8-10-22(29)11-9-20)25(31-27(21)34)28(35)32(2)3/h7-12,14-17H,5-6,13H2,1-4H3/b21-14+
InChIKeyXKCHWONXINEIKC-KGENOOAVSA-N
XLogP5.23
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide (CID 24852564) is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide is COc1cc(/C=C2\CCCn3c2nc(C(=O)N(C)C)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is XKCHWONXINEIKC-KGENOOAVSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-18-16-33(17-30-18)23-12-7-19(15-24(23)36-4)14-21-6-5-13-34-26(20-8-10-22(29)11-9-20)25(31-27(21)34)28(35)32(2)3/h7-12,14-17H,5-6,13H2,1-4H3/b21-14+.
What are the key properties of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide?
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N,N-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 24852564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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