2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C134H198F3N33O23S — CID 159150360

IUPAC2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)C1c2nc[nH]c2CCN1C(=O)OCC1CCO1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCCN(C)C.CC(C)C1c2nc[nH]c2CCN1C(=O)OCCOCC(F)(F)F.CC(C)C1c2nc[nH]c2CCN1C(=O)OCCOc1cccnc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OC[C@@H]1CCCN1C.CC(C)C1c2nc[nH]c2CCN1C(=O)OC[C@H]1CCCO1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1nccs1.CC(C)C1c2nc[nH]c2CCN1C(=O)O[C@@H]1CCN(C)C1.Cc1cc(COC(=O)N2CCc3[nH]cnc3C2C(C)C)no1
InChIInChI=1S/C17H22N4O3.C16H26N4O2.C15H20N4O3.C15H24N4O2.C15H23N3O3.C14H20F3N3O3.C14H18N4O2S.C14H24N4O2.C14H21N3O3/c1-12(2)16-15-14(19-11-20-15)5-7-21(16)17(22)24-9-8-23-13-4-3-6-18-10-13;1-11(2)15-14-13(17-10-18-14)6-8-20(15)16(21)22-9-12-5-4-7-19(12)3;1-9(2)14-13-12(16-8-17-13)4-5-19(14)15(20)21-7-11-6-10(3)22-18-11;1-10(2)14-13-12(16-9-17-13)5-7-19(14)15(20)21-11-4-6-18(3)8-11;1-10(2)14-13-12(16-9-17-13)5-6-18(14)15(19)21-8-11-4-3-7-20-11;1-9(2)12-11-10(18-8-19-11)3-4-20(12)13(21)23-6-5-22-7-14(15,16)17;1-9(2)13-12-10(16-8-17-12)3-5-18(13)14(19)20-7-11-15-4-6-21-11;1-10(2)13-12-11(15-9-16-12)5-6-18(13)14(19)20-8-7-17(3)4;1-9(2)13-12-11(15-8-16-12)3-5-17(13)14(18)20-7-10-4-6-19-10/h3-4,6,10-12,16H,5,7-9H2,1-2H3,(H,19,20);10-12,15H,4-9H2,1-3H3,(H,17,18);6,8-9,14H,4-5,7H2,1-3H3,(H,16,17);9-11,14H,4-8H2,1-3H3,(H,16,17);9-11,14H,3-8H2,1-2H3,(H,16,17);8-9,12H,3-7H2,1-2H3,(H,18,19);4,6,8-9,13H,3,5,7H2,1-2H3,(H,16,17);9-10,13H,5-8H2,1-4H3,(H,15,16);8-10,13H,3-7H2,1-2H3,(H,15,16)/t;12-,15?;;2*11-,14?;;;;/m.0.11..../s1
InChIKeyKJEXAUZLGOZADI-OMKJQWTMSA-N
MW2728.33 g/mol
LogP20.45
Rot. Bonds31

About 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 159150360) has the molecular formula C134H198F3N33O23S and a molecular weight of 2728.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID159150360
Molecular FormulaC134H198F3N33O23S
Molecular Weight2728.33 g/mol
Exact Mass2726.50
IUPAC Name2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)C1c2nc[nH]c2CCN1C(=O)OCC1CCO1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCCN(C)C.CC(C)C1c2nc[nH]c2CCN1C(=O)OCCOCC(F)(F)F.CC(C)C1c2nc[nH]c2CCN1C(=O)OCCOc1cccnc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OC[C@@H]1CCCN1C.CC(C)C1c2nc[nH]c2CCN1C(=O)OC[C@H]1CCCO1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1nccs1.CC(C)C1c2nc[nH]c2CCN1C(=O)O[C@@H]1CCN(C)C1.Cc1cc(COC(=O)N2CCc3[nH]cnc3C2C(C)C)no1
InChIInChI=1S/C17H22N4O3.C16H26N4O2.C15H20N4O3.C15H24N4O2.C15H23N3O3.C14H20F3N3O3.C14H18N4O2S.C14H24N4O2.C14H21N3O3/c1-12(2)16-15-14(19-11-20-15)5-7-21(16)17(22)24-9-8-23-13-4-3-6-18-10-13;1-11(2)15-14-13(17-10-18-14)6-8-20(15)16(21)22-9-12-5-4-7-19(12)3;1-9(2)14-13-12(16-8-17-13)4-5-19(14)15(20)21-7-11-6-10(3)22-18-11;1-10(2)14-13-12(16-9-17-13)5-7-19(14)15(20)21-11-4-6-18(3)8-11;1-10(2)14-13-12(16-9-17-13)5-6-18(14)15(19)21-8-11-4-3-7-20-11;1-9(2)12-11-10(18-8-19-11)3-4-20(12)13(21)23-6-5-22-7-14(15,16)17;1-9(2)13-12-10(16-8-17-12)3-5-18(13)14(19)20-7-11-15-4-6-21-11;1-10(2)13-12-11(15-9-16-12)5-6-18(13)14(19)20-8-7-17(3)4;1-9(2)13-12-11(15-8-16-12)3-5-17(13)14(18)20-7-10-4-6-19-10/h3-4,6,10-12,16H,5,7-9H2,1-2H3,(H,19,20);10-12,15H,4-9H2,1-3H3,(H,17,18);6,8-9,14H,4-5,7H2,1-3H3,(H,16,17);9-11,14H,4-8H2,1-3H3,(H,16,17);9-11,14H,3-8H2,1-2H3,(H,16,17);8-9,12H,3-7H2,1-2H3,(H,18,19);4,6,8-9,13H,3,5,7H2,1-2H3,(H,16,17);9-10,13H,5-8H2,1-4H3,(H,15,16);8-10,13H,3-7H2,1-2H3,(H,15,16)/t;12-,15?;;2*11-,14?;;;;/m.0.11..../s1
InChIKeyKJEXAUZLGOZADI-OMKJQWTMSA-N
XLogP20.45
TPSA622.43 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002728.33
LogP ≤ 520.45
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 159721994
(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-methyloxetan-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxolan-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 159758811
2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-methyloxetan-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 159854614

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 159150360) is 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is CC(C)C1c2nc[nH]c2CCN1C(=O)OCC1CCO1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCCN(C)C.CC(C)C1c2nc[nH]c2CCN1C(=O)OCCOCC(F)(F)F.CC(C)C1c2nc[nH]c2CCN1C(=O)OCCOc1cccnc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OC[C@@H]1CCCN1C.CC(C)C1c2nc[nH]c2CCN1C(=O)OC[C@H]1CCCO1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1nccs1.CC(C)C1c2nc[nH]c2CCN1C(=O)O[C@@H]1CCN(C)C1.Cc1cc(COC(=O)N2CCc3[nH]cnc3C2C(C)C)no1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is KJEXAUZLGOZADI-OMKJQWTMSA-N. The full InChI is InChI=1S/C17H22N4O3.C16H26N4O2.C15H20N4O3.C15H24N4O2.C15H23N3O3.C14H20F3N3O3.C14H18N4O2S.C14H24N4O2.C14H21N3O3/c1-12(2)16-15-14(19-11-20-15)5-7-21(16)17(22)24-9-8-23-13-4-3-6-18-10-13;1-11(2)15-14-13(17-10-18-14)6-8-20(15)16(21)22-9-12-5-4-7-19(12)3;1-9(2)14-13-12(16-8-17-13)4-5-19(14)15(20)21-7-11-6-10(3)22-18-11;1-10(2)14-13-12(16-9-17-13)5-7-19(14)15(20)21-11-4-6-18(3)8-11;1-10(2)14-13-12(16-9-17-13)5-6-18(14)15(19)21-8-11-4-3-7-20-11;1-9(2)12-11-10(18-8-19-11)3-4-20(12)13(21)23-6-5-22-7-14(15,16)17;1-9(2)13-12-10(16-8-17-12)3-5-18(13)14(19)20-7-11-15-4-6-21-11;1-10(2)13-12-11(15-9-16-12)5-6-18(13)14(19)20-8-7-17(3)4;1-9(2)13-12-11(15-8-16-12)3-5-17(13)14(18)20-7-10-4-6-19-10/h3-4,6,10-12,16H,5,7-9H2,1-2H3,(H,19,20);10-12,15H,4-9H2,1-3H3,(H,17,18);6,8-9,14H,4-5,7H2,1-3H3,(H,16,17);9-11,14H,4-8H2,1-3H3,(H,16,17);9-11,14H,3-8H2,1-2H3,(H,16,17);8-9,12H,3-7H2,1-2H3,(H,18,19);4,6,8-9,13H,3,5,7H2,1-2H3,(H,16,17);9-10,13H,5-8H2,1-4H3,(H,15,16);8-10,13H,3-7H2,1-2H3,(H,15,16)/t;12-,15?;;2*11-,14?;;;;/m.0.11..../s1.
What are the key properties of 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 2728.33 g/mol, XLogP of 20.45, 31 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2S)-1-methylpyrrolidin-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(3R)-1-methylpyrrolidin-3-yl] 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;oxetan-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;[(2R)-oxolan-2-yl]methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-pyridin-3-yloxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;1,3-thiazol-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-(2,2,2-trifluoroethoxy)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 159150360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).