[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

C40H36F4N10O3 — CID 157127481

IUPAC[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4cccc(C)n4)ncn3CC(F)F)cn12.Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(CO)n3c2)n1
InChIInChI=1S/C21H19F2N5O2.C19H17F2N5O/c1-3-30-21(29)16-9-24-18-8-7-14(10-28(16)18)20-19(15-6-4-5-13(2)26-15)25-12-27(20)11-17(22)23;1-12-3-2-4-15(24-12)18-19(25(11-23-18)9-16(20)21)13-5-6-17-22-7-14(10-27)26(17)8-13/h4-10,12,17H,3,11H2,1-2H3;2-8,11,16,27H,9-10H2,1H3
InChIKeyAIRFOFAHEPMKNE-UHFFFAOYSA-N
MW780.79 g/mol
LogP7.34
Rot. Bonds11

About [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 157127481) has the molecular formula C40H36F4N10O3 and a molecular weight of 780.79 g/mol. Its IUPAC name is [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID157127481
Molecular FormulaC40H36F4N10O3
Molecular Weight780.79 g/mol
Exact Mass780.29
IUPAC Name[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4cccc(C)n4)ncn3CC(F)F)cn12.Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(CO)n3c2)n1
InChIInChI=1S/C21H19F2N5O2.C19H17F2N5O/c1-3-30-21(29)16-9-24-18-8-7-14(10-28(16)18)20-19(15-6-4-5-13(2)26-15)25-12-27(20)11-17(22)23;1-12-3-2-4-15(24-12)18-19(25(11-23-18)9-16(20)21)13-5-6-17-22-7-14(10-27)26(17)8-13/h4-10,12,17H,3,11H2,1-2H3;2-8,11,16,27H,9-10H2,1H3
InChIKeyAIRFOFAHEPMKNE-UHFFFAOYSA-N
XLogP7.34
TPSA142.55 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500780.79
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
US9884868, Example 274C''
CID 122510556
US9981944, Example 67
CID 122478454
PSJ-2510-up
CID 139095417
Ethyl 6-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 23158266
6-(3-Morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68745401
6-(4-Morpholin-4-ylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68747812
Ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 118590586
Ethyl 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 122478418
Ethyl 6-(6'-(trifluoromethyl)-[2,2'-bipyridin]-3-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 122478431
N-(2,2-difluoroethyl)-6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 122478588

Frequently Asked Questions

What is the IUPAC name of [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 157127481) is [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3c(-c4cccc(C)n4)ncn3CC(F)F)cn12.Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(CO)n3c2)n1.
What is the InChIKey of [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is AIRFOFAHEPMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2.C19H17F2N5O/c1-3-30-21(29)16-9-24-18-8-7-14(10-28(16)18)20-19(15-6-4-5-13(2)26-15)25-12-27(20)11-17(22)23;1-12-3-2-4-15(24-12)18-19(25(11-23-18)9-16(20)21)13-5-6-17-22-7-14(10-27)26(17)8-13/h4-10,12,17H,3,11H2,1-2H3;2-8,11,16,27H,9-10H2,1H3.
What are the key properties of [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 780.79 g/mol, XLogP of 7.34, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]methanol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 157127481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).