benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C89H112Cl5F2N21O12 — CID 161257637

About benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 161257637) has the molecular formula C89H112Cl5F2N21O12 and a molecular weight of 1883.27 g/mol. Its IUPAC name is benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
• PubChem CID: 161257637
• Molecular Formula: C89H112Cl5F2N21O12
• Molecular Weight: 1883.27 g/mol
• Exact Mass: 1879.72
• IUPAC Name: benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
• SMILES: CC(C)C1c2nc[nH]c2CCN1C(=O)OCC(Cl)(Cl)Cl.CC(C)C1c2nc[nH]c2CCN1C(=O)OCC(F)(F)Cl.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccc(Cl)cn1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccccc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1cccnc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccncc1
• InChI: InChI=1S/C17H21N3O2.C16H19ClN4O2.2C16H20N4O2.C12H16Cl3N3O2.C12H16ClF2N3O2/c1-12(2)16-15-14(18-11-19-15)8-9-20(16)17(21)22-10-13-6-4-3-5-7-13;1-10(2)15-14-13(19-9-20-14)5-6-21(15)16(22)23-8-12-4-3-11(17)7-18-12;1-11(2)15-14-13(18-10-19-14)5-8-20(15)16(21)22-9-12-3-6-17-7-4-12;1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12;2*1-7(2)10-9-8(16-6-17-9)3-4-18(10)11(19)20-5-12(13,14)15/h3-7,11-12,16H,8-10H2,1-2H3,(H,18,19);3-4,7,9-10,15H,5-6,8H2,1-2H3,(H,19,20);3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,18,19);3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19);2*6-7,10H,3-5H2,1-2H3,(H,16,17)
• InChIKey: VCDDVDRWXMNBMH-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 387.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1883.27
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?

The IUPAC name of benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 161257637) is benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

What is the SMILES notation for benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?

The canonical SMILES for benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is CC(C)C1c2nc[nH]c2CCN1C(=O)OCC(Cl)(Cl)Cl.CC(C)C1c2nc[nH]c2CCN1C(=O)OCC(F)(F)Cl.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccc(Cl)cn1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccccc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1cccnc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccncc1.

What is the InChIKey of benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?

The InChIKey is VCDDVDRWXMNBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.C16H19ClN4O2.2C16H20N4O2.C12H16Cl3N3O2.C12H16ClF2N3O2/c1-12(2)16-15-14(18-11-19-15)8-9-20(16)17(21)22-10-13-6-4-3-5-7-13;1-10(2)15-14-13(19-9-20-14)5-6-21(15)16(22)23-8-12-4-3-11(17)7-18-12;1-11(2)15-14-13(18-10-19-14)5-8-20(15)16(21)22-9-12-3-6-17-7-4-12;1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12;2*1-7(2)10-9-8(16-6-17-9)3-4-18(10)11(19)20-5-12(13,14)15/h3-7,11-12,16H,8-10H2,1-2H3,(H,18,19);3-4,7,9-10,15H,5-6,8H2,1-2H3,(H,19,20);3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,18,19);3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19);2*6-7,10H,3-5H2,1-2H3,(H,16,17).

What are the key properties of benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?

benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 1883.27 g/mol, XLogP of 18.45, 17 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-3-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyridin-4-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 161257637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).