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

C42H40F4N10O3 — CID 157207421

IUPAC2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;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(C(C)(C)O)n3c2)n1
InChIInChI=1S/C21H19F2N5O2.C21H21F2N5O/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;1-13-5-4-6-15(26-13)19-20(27(12-25-19)11-17(22)23)14-7-8-18-24-9-16(21(2,3)29)28(18)10-14/h4-10,12,17H,3,11H2,1-2H3;4-10,12,17,29H,11H2,1-3H3
InChIKeyARMYHWSMTXVOEY-UHFFFAOYSA-N
MW808.84 g/mol
LogP8.07
Rot. Bonds11

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

2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 157207421) has the molecular formula C42H40F4N10O3 and a molecular weight of 808.84 g/mol. Its IUPAC name is 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID157207421
Molecular FormulaC42H40F4N10O3
Molecular Weight808.84 g/mol
Exact Mass808.32
IUPAC Name2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;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(C(C)(C)O)n3c2)n1
InChIInChI=1S/C21H19F2N5O2.C21H21F2N5O/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;1-13-5-4-6-15(26-13)19-20(27(12-25-19)11-17(22)23)14-7-8-18-24-9-16(21(2,3)29)28(18)10-14/h4-10,12,17H,3,11H2,1-2H3;4-10,12,17,29H,11H2,1-3H3
InChIKeyARMYHWSMTXVOEY-UHFFFAOYSA-N
XLogP8.07
TPSA142.55 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.84
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;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
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
6-[3-(2,2-Difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 122510710
Ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 135233380
Ethyl 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)pyridin-4-yl]imidazo[1,2-a]pyrazine-2-carboxylate
CID 137372642

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;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 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 157207421) is 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;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 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;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 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;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(C(C)(C)O)n3c2)n1.
What is the InChIKey of 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is ARMYHWSMTXVOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2.C21H21F2N5O/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;1-13-5-4-6-15(26-13)19-20(27(12-25-19)11-17(22)23)14-7-8-18-24-9-16(21(2,3)29)28(18)10-14/h4-10,12,17H,3,11H2,1-2H3;4-10,12,17,29H,11H2,1-3H3.
What are the key properties of 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;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 808.84 g/mol, XLogP of 8.07, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;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 157207421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).