sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate

C87H108Cl5I3N20NaO8V — CID 157062383

IUPACsodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate
SMILESCC(=O)[O-].CN1CCN(c2cccc3nc(C=O)cn23)CC1.CN1CCN(c2cccc3nc(CO)cn23)CC1.CN1CCNCC1.COc1ccc([C@H](C)N[C@H]2CCCc3cccnc32)cc1.Cc1cccc(N)n1.Cc1cccc2nc(C(Cl)Cl)cn12.Cc1cccc2nc(C=O)cn12.Cc1cccc2nc(CO)cn12.I[V](I)I.O=C(CCl)C(Cl)Cl.[Na+]
InChIInChI=1S/C18H22N2O.C13H18N4O.C13H16N4O.C9H8Cl2N2.C9H10N2O.C9H8N2O.C6H8N2.C5H12N2.C3H3Cl3O.C2H4O2.3HI.Na.V/c1-13(14-8-10-16(21-2)11-9-14)20-17-7-3-5-15-6-4-12-19-18(15)17;2*1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13;1-6-3-2-4-8-12-7(9(10)11)5-13(6)8;2*1-7-3-2-4-9-10-8(6-12)5-11(7)9;1-5-3-2-4-6(7)8-5;1-7-4-2-6-3-5-7;4-1-2(7)3(5)6;1-2(3)4;;;;;/h4,6,8-13,17,20H,3,5,7H2,1-2H3;2-4,9,18H,5-8,10H2,1H3;2-4,9-10H,5-8H2,1H3;2-5,9H,1H3;2-5,12H,6H2,1H3;2-6H,1H3;2-4H,1H3,(H2,7,8);6H,2-5H2,1H3;3H,1H2;1H3,(H,3,4);3*1H;;/q;;;;;;;;;;;;;+1;+3/p-4/t13-,17-;;;;;;;;;;;;;;/m0............../s1
InChIKeyABMAHRNYKMHJKW-QVCUBDCRSA-J
MW2193.86 g/mol
LogP11.51
Rot. Bonds13

About sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate

sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate (PubChem CID 157062383) has the molecular formula C87H108Cl5I3N20NaO8V and a molecular weight of 2193.86 g/mol. Its IUPAC name is sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate.

Molecular Properties

Compound Namesodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate
PubChem CID157062383
Molecular FormulaC87H108Cl5I3N20NaO8V
Molecular Weight2193.86 g/mol
Exact Mass2190.36
IUPAC Namesodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate
SMILESCC(=O)[O-].CN1CCN(c2cccc3nc(C=O)cn23)CC1.CN1CCN(c2cccc3nc(CO)cn23)CC1.CN1CCNCC1.COc1ccc([C@H](C)N[C@H]2CCCc3cccnc32)cc1.Cc1cccc(N)n1.Cc1cccc2nc(C(Cl)Cl)cn12.Cc1cccc2nc(C=O)cn12.Cc1cccc2nc(CO)cn12.I[V](I)I.O=C(CCl)C(Cl)Cl.[Na+]
InChIInChI=1S/C18H22N2O.C13H18N4O.C13H16N4O.C9H8Cl2N2.C9H10N2O.C9H8N2O.C6H8N2.C5H12N2.C3H3Cl3O.C2H4O2.3HI.Na.V/c1-13(14-8-10-16(21-2)11-9-14)20-17-7-3-5-15-6-4-12-19-18(15)17;2*1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13;1-6-3-2-4-8-12-7(9(10)11)5-13(6)8;2*1-7-3-2-4-9-10-8(6-12)5-11(7)9;1-5-3-2-4-6(7)8-5;1-7-4-2-6-3-5-7;4-1-2(7)3(5)6;1-2(3)4;;;;;/h4,6,8-13,17,20H,3,5,7H2,1-2H3;2-4,9,18H,5-8,10H2,1H3;2-4,9-10H,5-8H2,1H3;2-5,9H,1H3;2-5,12H,6H2,1H3;2-6H,1H3;2-4H,1H3,(H2,7,8);6H,2-5H2,1H3;3H,1H2;1H3,(H,3,4);3*1H;;/q;;;;;;;;;;;;;+1;+3/p-4/t13-,17-;;;;;;;;;;;;;;/m0............../s1
InChIKeyABMAHRNYKMHJKW-QVCUBDCRSA-J
XLogP11.51
TPSA319.59 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002193.86
LogP ≤ 511.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate?
The IUPAC name of sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate (CID 157062383) is sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate.
What is the SMILES notation for sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate?
The canonical SMILES for sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate is CC(=O)[O-].CN1CCN(c2cccc3nc(C=O)cn23)CC1.CN1CCN(c2cccc3nc(CO)cn23)CC1.CN1CCNCC1.COc1ccc([C@H](C)N[C@H]2CCCc3cccnc32)cc1.Cc1cccc(N)n1.Cc1cccc2nc(C(Cl)Cl)cn12.Cc1cccc2nc(C=O)cn12.Cc1cccc2nc(CO)cn12.I[V](I)I.O=C(CCl)C(Cl)Cl.[Na+].
What is the InChIKey of sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate?
The InChIKey is ABMAHRNYKMHJKW-QVCUBDCRSA-J. The full InChI is InChI=1S/C18H22N2O.C13H18N4O.C13H16N4O.C9H8Cl2N2.C9H10N2O.C9H8N2O.C6H8N2.C5H12N2.C3H3Cl3O.C2H4O2.3HI.Na.V/c1-13(14-8-10-16(21-2)11-9-14)20-17-7-3-5-15-6-4-12-19-18(15)17;2*1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13;1-6-3-2-4-8-12-7(9(10)11)5-13(6)8;2*1-7-3-2-4-9-10-8(6-12)5-11(7)9;1-5-3-2-4-6(7)8-5;1-7-4-2-6-3-5-7;4-1-2(7)3(5)6;1-2(3)4;;;;;/h4,6,8-13,17,20H,3,5,7H2,1-2H3;2-4,9,18H,5-8,10H2,1H3;2-4,9-10H,5-8H2,1H3;2-5,9H,1H3;2-5,12H,6H2,1H3;2-6H,1H3;2-4H,1H3,(H2,7,8);6H,2-5H2,1H3;3H,1H2;1H3,(H,3,4);3*1H;;/q;;;;;;;;;;;;;+1;+3/p-4/t13-,17-;;;;;;;;;;;;;;/m0............../s1.
What are the key properties of sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate?
sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate has a molecular weight of 2193.86 g/mol, XLogP of 11.51, 13 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(dichloromethyl)-5-methylimidazo[1,2-a]pyridine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-methylimidazo[1,2-a]pyridine-2-carbaldehyde;(5-methylimidazo[1,2-a]pyridin-2-yl)methanol;1-methylpiperazine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol;6-methylpyridin-2-amine;1,1,3-trichloropropan-2-one;triiodovanadium;acetate is sourced from PubChem (CID 157062383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).