(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

C91H133F3N22O16 — CID 159721994

About (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

(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 (PubChem CID 159721994) has the molecular formula C91H133F3N22O16 and a molecular weight of 1848.20 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 159721994
• Molecular Formula: C91H133F3N22O16
• Molecular Weight: 1848.20 g/mol
• Exact Mass: 1847.02
• IUPAC Name: (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
• SMILES: CC(C)C1c2nc[nH]c2CCN1C(=O)OCC1CCO1.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)O[C@@H]1CCN(C)C1.Cc1cc(COC(=O)N2CCc3[nH]cnc3C2C(C)C)no1
• InChI: InChI=1S/C17H22N4O3.C16H26N4O2.C15H20N4O3.C15H24N4O2.C14H20F3N3O3.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;1-9(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)13-12-11(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);8-9,12H,3-7H2,1-2H3,(H,18,19);8-10,13H,3-7H2,1-2H3,(H,15,16)/t;12-,15?;;11-,14?;;/m.0.1../s1
• InChIKey: NADQSZXYXMIRTO-QDMBEELKSA-N
• XLogP: 13.75
• TPSA: 422.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1848.20
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC(C)C1c2nc[nH]c2CCN1C(=O)OCC1CCO1.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)O[C@@H]1CCN(C)C1.Cc1cc(COC(=O)N2CCc3[nH]cnc3C2C(C)C)no1.

What is the InChIKey of (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?

The InChIKey is NADQSZXYXMIRTO-QDMBEELKSA-N. The full InChI is InChI=1S/C17H22N4O3.C16H26N4O2.C15H20N4O3.C15H24N4O2.C14H20F3N3O3.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;1-9(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)13-12-11(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);8-9,12H,3-7H2,1-2H3,(H,18,19);8-10,13H,3-7H2,1-2H3,(H,15,16)/t;12-,15?;;11-,14?;;/m.0.1../s1.

What are the key properties of (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?

(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 has a molecular weight of 1848.20 g/mol, XLogP of 13.75, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 159721994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).