1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate

C80H75Cl3N18O7 — CID 159896651

IUPAC1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CC(C)(O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C27H25ClN6O3.C27H27ClN6O2.C26H23ClN6O2/c1-2-37-27(36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-27(2,36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-16(34)22-8-18(17-2-3-17)11-32-13-21(30-26(22)32)14-33-12-19(10-29-33)25(35)5-4-23-24-9-20(27)6-7-31(24)15-28-23/h7-14,16-17H,2-6,15H2,1H3;7-14,16-17,36H,3-6,15H2,1-2H3;6-13,15,17H,2-5,14H2,1H3
InChIKeyNVKSORXXLBHXDU-UHFFFAOYSA-N
MW1506.96 g/mol
LogP14.33
Rot. Bonds25

About 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate

1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 159896651) has the molecular formula C80H75Cl3N18O7 and a molecular weight of 1506.96 g/mol. Its IUPAC name is 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Name1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID159896651
Molecular FormulaC80H75Cl3N18O7
Molecular Weight1506.96 g/mol
Exact Mass1504.51
IUPAC Name1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CC(C)(O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C27H25ClN6O3.C27H27ClN6O2.C26H23ClN6O2/c1-2-37-27(36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-27(2,36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-16(34)22-8-18(17-2-3-17)11-32-13-21(30-26(22)32)14-33-12-19(10-29-33)25(35)5-4-23-24-9-20(27)6-7-31(24)15-28-23/h7-14,16-17H,2-6,15H2,1H3;7-14,16-17,36H,3-6,15H2,1-2H3;6-13,15,17H,2-5,14H2,1H3
InChIKeyNVKSORXXLBHXDU-UHFFFAOYSA-N
XLogP14.33
TPSA272.07 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.96
LogP ≤ 514.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate with MolForge

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Related Compounds

Ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 139487407
Tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one
CID 159288176
6-Chloro-2-methylpyridine-3-carbaldehyde;6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;ethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 159890394
4-[[2-(4-Chlorophenyl)-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;3-(morpholin-4-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridine-6-carboxylic acid;4-[(6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-phenyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[[2-pyridin-3-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 160160859
tert-butyl 1-[[6-cyclopropyl-8-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(3-ethoxy-2-methyl-3-oxopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(3-ethoxy-2-methyl-3-oxopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethanol;ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate;methane;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 161863463
2-(4-Chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylic acid;4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[(2-cyclopropyl-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-phenyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 162156284
2-[[4-[3-(7-Chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 153430976
Methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 153430990
2-[[4-[3-(7-Chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 153430991
Ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 153431038
3-(7-Chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one
CID 153431044
Ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
CID 155624268

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (CID 159896651) is 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is CC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CC(C)(O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.
What is the InChIKey of 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is NVKSORXXLBHXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O3.C27H27ClN6O2.C26H23ClN6O2/c1-2-37-27(36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-27(2,36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-16(34)22-8-18(17-2-3-17)11-32-13-21(30-26(22)32)14-33-12-19(10-29-33)25(35)5-4-23-24-9-20(27)6-7-31(24)15-28-23/h7-14,16-17H,2-6,15H2,1H3;7-14,16-17,36H,3-6,15H2,1-2H3;6-13,15,17H,2-5,14H2,1H3.
What are the key properties of 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 1506.96 g/mol, XLogP of 14.33, 25 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 159896651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).