[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate

C79H78Cl8N18O7S — CID 160806080

IUPAC[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(C(=O)N3CCNCC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCSCC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H23Cl2N5O3.C19H19Cl2N5O.C19H18Cl2N4O2.C19H18Cl2N4OS/c1-2-32-22(31)28-7-5-27(6-8-28)21(30)19-12-26-20-9-14(11-25)17(13-29(19)20)16-4-3-15(23)10-18(16)24;20-13-1-2-14(16(21)8-13)15-11-26-17(10-24-18(26)7-12(15)9-22)19(27)25-5-3-23-4-6-25;2*20-13-1-2-14(16(21)8-13)15-11-25-17(10-23-18(25)7-12(15)9-22)19(26)24-3-5-27-6-4-24/h3-4,9-10,12-13H,2,5-8,11,25H2,1H3;1-2,7-8,10-11,23H,3-6,9,22H2;2*1-2,7-8,10-11H,3-6,9,22H2
InChIKeySDSBBJCUEILPGH-UHFFFAOYSA-N
MW1707.30 g/mol
LogP13.69
Rot. Bonds13

About [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate

[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 160806080) has the molecular formula C79H78Cl8N18O7S and a molecular weight of 1707.30 g/mol. Its IUPAC name is [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID160806080
Molecular FormulaC79H78Cl8N18O7S
Molecular Weight1707.30 g/mol
Exact Mass1702.35
IUPAC Name[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(C(=O)N3CCNCC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCSCC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H23Cl2N5O3.C19H19Cl2N5O.C19H18Cl2N4O2.C19H18Cl2N4OS/c1-2-32-22(31)28-7-5-27(6-8-28)21(30)19-12-26-20-9-14(11-25)17(13-29(19)20)16-4-3-15(23)10-18(16)24;20-13-1-2-14(16(21)8-13)15-11-26-17(10-24-18(26)7-12(15)9-22)19(27)25-5-3-23-4-6-25;2*20-13-1-2-14(16(21)8-13)15-11-25-17(10-23-18(25)7-12(15)9-22)19(26)24-3-5-27-6-4-24/h3-4,9-10,12-13H,2,5-8,11,25H2,1H3;1-2,7-8,10-11,23H,3-6,9,22H2;2*1-2,7-8,10-11H,3-6,9,22H2
InChIKeySDSBBJCUEILPGH-UHFFFAOYSA-N
XLogP13.69
TPSA305.32 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001707.30
LogP ≤ 513.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate (CID 160806080) is [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(C(=O)N3CCNCC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCSCC3)n2cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is SDSBBJCUEILPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O3.C19H19Cl2N5O.C19H18Cl2N4O2.C19H18Cl2N4OS/c1-2-32-22(31)28-7-5-27(6-8-28)21(30)19-12-26-20-9-14(11-25)17(13-29(19)20)16-4-3-15(23)10-18(16)24;20-13-1-2-14(16(21)8-13)15-11-26-17(10-24-18(26)7-12(15)9-22)19(27)25-5-3-23-4-6-25;2*20-13-1-2-14(16(21)8-13)15-11-25-17(10-23-18(25)7-12(15)9-22)19(26)24-3-5-27-6-4-24/h3-4,9-10,12-13H,2,5-8,11,25H2,1H3;1-2,7-8,10-11,23H,3-6,9,22H2;2*1-2,7-8,10-11H,3-6,9,22H2.
What are the key properties of [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate?
[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 1707.30 g/mol, XLogP of 13.69, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-thiomorpholin-4-ylmethanone;ethyl 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 160806080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).