methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

C41H29F3N10O3 — CID 134533156

IUPACmethyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC(=O)c1ccnc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1.Cc1cccc(-c2nc(C(F)(F)F)ccc2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C21H15N5O2.C20H14F3N5O/c1-13-4-3-5-17(25-13)20-19(16(8-9-23-20)21(27)28-2)14-6-7-18-24-11-15(10-22)26(18)12-14;1-11-3-2-4-14(26-11)18-13(6-7-16(27-18)20(21,22)23)12-5-8-17-25-9-15(19(24)29)28(17)10-12/h3-9,11-12H,1-2H3;2-10H,1H3,(H2,24,29)
InChIKeyZUNPZEJEMDLGIP-UHFFFAOYSA-N
MW766.74 g/mol
LogP7.31
Rot. Bonds6

About methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134533156) has the molecular formula C41H29F3N10O3 and a molecular weight of 766.74 g/mol. Its IUPAC name is methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Namemethyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID134533156
Molecular FormulaC41H29F3N10O3
Molecular Weight766.74 g/mol
Exact Mass766.24
IUPAC Namemethyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC(=O)c1ccnc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1.Cc1cccc(-c2nc(C(F)(F)F)ccc2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C21H15N5O2.C20H14F3N5O/c1-13-4-3-5-17(25-13)20-19(16(8-9-23-20)21(27)28-2)14-6-7-18-24-11-15(10-22)26(18)12-14;1-11-3-2-4-14(26-11)18-13(6-7-16(27-18)20(21,22)23)12-5-8-17-25-9-15(19(24)29)28(17)10-12/h3-9,11-12H,1-2H3;2-10H,1H3,(H2,24,29)
InChIKeyZUNPZEJEMDLGIP-UHFFFAOYSA-N
XLogP7.31
TPSA179.34 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.74
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134533156) is methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is COC(=O)c1ccnc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1.Cc1cccc(-c2nc(C(F)(F)F)ccc2-c2ccc3ncc(C(N)=O)n3c2)n1.
What is the InChIKey of methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZUNPZEJEMDLGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2.C20H14F3N5O/c1-13-4-3-5-17(25-13)20-19(16(8-9-23-20)21(27)28-2)14-6-7-18-24-11-15(10-22)26(18)12-14;1-11-3-2-4-14(26-11)18-13(6-7-16(27-18)20(21,22)23)12-5-8-17-25-9-15(19(24)29)28(17)10-12/h3-9,11-12H,1-2H3;2-10H,1H3,(H2,24,29).
What are the key properties of methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 766.74 g/mol, XLogP of 7.31, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134533156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).