7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate

C66H71Cl6N13O7 — CID 159974749

IUPAC7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCN(C(=O)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12)C1CCOCC1.CCOC(=O)N1CCCC(NC(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)C1.CN(C(=O)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12)C1CCOCC1
InChIInChI=1S/C23H25Cl2N5O3.C22H24Cl2N4O2.C21H22Cl2N4O2/c1-2-33-23(32)29-7-3-4-16(12-29)28-22(31)20-11-27-21-8-14(10-26)18(13-30(20)21)17-6-5-15(24)9-19(17)25;1-2-27(16-5-7-30-8-6-16)22(29)20-12-26-21-9-14(11-25)18(13-28(20)21)17-4-3-15(23)10-19(17)24;1-26(15-4-6-29-7-5-15)21(28)19-11-25-20-8-13(10-24)17(12-27(19)20)16-3-2-14(22)9-18(16)23/h5-6,8-9,11,13,16H,2-4,7,10,12,26H2,1H3,(H,28,31);3-4,9-10,12-13,16H,2,5-8,11,25H2,1H3;2-3,8-9,11-12,15H,4-7,10,24H2,1H3
InChIKeyOEZUUTZHGYHWLB-UHFFFAOYSA-N
MW1371.10 g/mol
LogP12.54
Rot. Bonds14

About 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate

7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 159974749) has the molecular formula C66H71Cl6N13O7 and a molecular weight of 1371.10 g/mol. Its IUPAC name is 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID159974749
Molecular FormulaC66H71Cl6N13O7
Molecular Weight1371.10 g/mol
Exact Mass1367.37
IUPAC Name7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCN(C(=O)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12)C1CCOCC1.CCOC(=O)N1CCCC(NC(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)C1.CN(C(=O)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12)C1CCOCC1
InChIInChI=1S/C23H25Cl2N5O3.C22H24Cl2N4O2.C21H22Cl2N4O2/c1-2-33-23(32)29-7-3-4-16(12-29)28-22(31)20-11-27-21-8-14(10-26)18(13-30(20)21)17-6-5-15(24)9-19(17)25;1-2-27(16-5-7-30-8-6-16)22(29)20-12-26-21-9-14(11-25)18(13-28(20)21)17-4-3-15(23)10-19(17)24;1-26(15-4-6-29-7-5-15)21(28)19-11-25-20-8-13(10-24)17(12-27(19)20)16-3-2-14(22)9-18(16)23/h5-6,8-9,11,13,16H,2-4,7,10,12,26H2,1H3,(H,28,31);3-4,9-10,12-13,16H,2,5-8,11,25H2,1H3;2-3,8-9,11-12,15H,4-7,10,24H2,1H3
InChIKeyOEZUUTZHGYHWLB-UHFFFAOYSA-N
XLogP12.54
TPSA247.68 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001371.10
LogP ≤ 512.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900418
8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 157170421
[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 157225219
4-[7-(Aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
CID 158441068
7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 57906468
[4-[7-(Aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 57906492
[4-[7-(Aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 57906499
Ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate
CID 57906504
[7-(Aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 57906510
7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 57906515
2-[4-[7-(Aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 57906547
7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 57906549

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate (CID 159974749) is 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate is CCN(C(=O)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12)C1CCOCC1.CCOC(=O)N1CCCC(NC(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)C1.CN(C(=O)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12)C1CCOCC1.
What is the InChIKey of 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is OEZUUTZHGYHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O3.C22H24Cl2N4O2.C21H22Cl2N4O2/c1-2-33-23(32)29-7-3-4-16(12-29)28-22(31)20-11-27-21-8-14(10-26)18(13-30(20)21)17-6-5-15(24)9-19(17)25;1-2-27(16-5-7-30-8-6-16)22(29)20-12-26-21-9-14(11-25)18(13-28(20)21)17-4-3-15(23)10-19(17)24;1-26(15-4-6-29-7-5-15)21(28)19-11-25-20-8-13(10-24)17(12-27(19)20)16-3-2-14(22)9-18(16)23/h5-6,8-9,11,13,16H,2-4,7,10,12,26H2,1H3,(H,28,31);3-4,9-10,12-13,16H,2,5-8,11,25H2,1H3;2-3,8-9,11-12,15H,4-7,10,24H2,1H3.
What are the key properties of 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 1371.10 g/mol, XLogP of 12.54, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 159974749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).