(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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

C90H111Cl6F2N19O11 — CID 158680712

About (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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

(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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 158680712) has the molecular formula C90H111Cl6F2N19O11 and a molecular weight of 1885.71 g/mol. Its IUPAC name is (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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: (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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: 158680712
• Molecular Formula: C90H111Cl6F2N19O11
• Molecular Weight: 1885.71 g/mol
• Exact Mass: 1881.68
• IUPAC Name: (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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)cc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1cccc(Cl)c1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccccn1.CC(C)C1c2nc[nH]c2CCN1C(=O)c1ccccc1
• InChI: InChI=1S/2C17H20ClN3O2.C16H20N4O2.C16H19N3O.C12H16Cl3N3O2.C12H16ClF2N3O2/c1-11(2)16-15-14(19-10-20-15)7-8-21(16)17(22)23-9-12-3-5-13(18)6-4-12;1-11(2)16-15-14(19-10-20-15)6-7-21(16)17(22)23-9-12-4-3-5-13(18)8-12;1-11(2)15-14-13(18-10-19-14)6-8-20(15)16(21)22-9-12-5-3-4-7-17-12;1-11(2)15-14-13(17-10-18-14)8-9-19(15)16(20)12-6-4-3-5-7-12;2*1-7(2)10-9-8(16-6-17-9)3-4-18(10)11(19)20-5-12(13,14)15/h3-6,10-11,16H,7-9H2,1-2H3,(H,19,20);3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,19,20);3-5,7,10-11,15H,6,8-9H2,1-2H3,(H,18,19);3-7,10-11,15H,8-9H2,1-2H3,(H,17,18);2*6-7,10H,3-5H2,1-2H3,(H,16,17)
• InChIKey: IFBZHESMCIHDBU-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 352.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1885.71
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

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 (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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 (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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 158680712) is (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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 (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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 (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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)cc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1cccc(Cl)c1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccccn1.CC(C)C1c2nc[nH]c2CCN1C(=O)c1ccccc1.

What is the InChIKey of (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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 IFBZHESMCIHDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20ClN3O2.C16H20N4O2.C16H19N3O.C12H16Cl3N3O2.C12H16ClF2N3O2/c1-11(2)16-15-14(19-10-20-15)7-8-21(16)17(22)23-9-12-3-5-13(18)6-4-12;1-11(2)16-15-14(19-10-20-15)6-7-21(16)17(22)23-9-12-4-3-5-13(18)8-12;1-11(2)15-14-13(18-10-19-14)6-8-20(15)16(21)22-9-12-5-3-4-7-17-12;1-11(2)15-14-13(17-10-18-14)8-9-19(15)16(20)12-6-4-3-5-7-12;2*1-7(2)10-9-8(16-6-17-9)3-4-18(10)11(19)20-5-12(13,14)15/h3-6,10-11,16H,7-9H2,1-2H3,(H,19,20);3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,19,20);3-5,7,10-11,15H,6,8-9H2,1-2H3,(H,18,19);3-7,10-11,15H,8-9H2,1-2H3,(H,17,18);2*6-7,10H,3-5H2,1-2H3,(H,16,17).

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

(2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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 1885.71 g/mol, XLogP of 19.82, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-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 158680712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).