benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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

C121H150ClN27O19 — CID 159665133

About benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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

benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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 (PubChem CID 159665133) has the molecular formula C121H150ClN27O19 and a molecular weight of 2322.15 g/mol. Its IUPAC name is benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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.

Molecular Properties

• Compound Name: benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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
• PubChem CID: 159665133
• Molecular Formula: C121H150ClN27O19
• Molecular Weight: 2322.15 g/mol
• Exact Mass: 2320.13
• IUPAC Name: benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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
• SMILES: CC(C)C1c2nc[nH]c2CCN1C(=O)OCCOc1ccccc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccc(Cl)cn1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccncc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1cnccn1.CC(C)[C@H]1c2nc[nH]c2C[C@@H](C(N)=O)N1C(=O)OCc1ccccc1.CNC(=O)[C@@H]1Cc2[nH]cnc2[C@H](C(C)C)N1C(=O)OCc1ccccc1.COC(=O)[C@@H]1Cc2[nH]cnc2[C@H](C(C)C)N1C(=O)OCc1ccccc1
• InChI: InChI=1S/C19H24N4O3.C19H23N3O4.C18H22N4O3.C18H23N3O3.C16H19ClN4O2.C16H20N4O2.C15H19N5O2/c1-12(2)17-16-14(21-11-22-16)9-15(18(24)20-3)23(17)19(25)26-10-13-7-5-4-6-8-13;1-12(2)17-16-14(20-11-21-16)9-15(18(23)25-3)22(17)19(24)26-10-13-7-5-4-6-8-13;1-11(2)16-15-13(20-10-21-15)8-14(17(19)23)22(16)18(24)25-9-12-6-4-3-5-7-12;1-13(2)17-16-15(19-12-20-16)8-9-21(17)18(22)24-11-10-23-14-6-4-3-5-7-14;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;1-10(2)14-13-12(18-9-19-13)3-6-20(14)15(21)22-8-11-7-16-4-5-17-11/h4-8,11-12,15,17H,9-10H2,1-3H3,(H,20,24)(H,21,22);4-8,11-12,15,17H,9-10H2,1-3H3,(H,20,21);3-7,10-11,14,16H,8-9H2,1-2H3,(H2,19,23)(H,20,21);3-7,12-13,17H,8-11H2,1-2H3,(H,19,20);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);4-5,7,9-10,14H,3,6,8H2,1-2H3,(H,18,19)/t2*15-,17-;14-,16-;;;;/m000..../s1
• InChIKey: MTHQUNNXYGZMNT-KABQNPCJSA-N
• XLogP: 18.73
• TPSA: 566.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.15
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

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 benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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?

The IUPAC name of benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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 (CID 159665133) is benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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.

What is the SMILES notation for benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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?

The canonical SMILES for benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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 is CC(C)C1c2nc[nH]c2CCN1C(=O)OCCOc1ccccc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccc(Cl)cn1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccncc1.CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1cnccn1.CC(C)[C@H]1c2nc[nH]c2C[C@@H](C(N)=O)N1C(=O)OCc1ccccc1.CNC(=O)[C@@H]1Cc2[nH]cnc2[C@H](C(C)C)N1C(=O)OCc1ccccc1.COC(=O)[C@@H]1Cc2[nH]cnc2[C@H](C(C)C)N1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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?

The InChIKey is MTHQUNNXYGZMNT-KABQNPCJSA-N. The full InChI is InChI=1S/C19H24N4O3.C19H23N3O4.C18H22N4O3.C18H23N3O3.C16H19ClN4O2.C16H20N4O2.C15H19N5O2/c1-12(2)17-16-14(21-11-22-16)9-15(18(24)20-3)23(17)19(25)26-10-13-7-5-4-6-8-13;1-12(2)17-16-14(20-11-21-16)9-15(18(23)25-3)22(17)19(24)26-10-13-7-5-4-6-8-13;1-11(2)16-15-13(20-10-21-15)8-14(17(19)23)22(16)18(24)25-9-12-6-4-3-5-7-12;1-13(2)17-16-15(19-12-20-16)8-9-21(17)18(22)24-11-10-23-14-6-4-3-5-7-14;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;1-10(2)14-13-12(18-9-19-13)3-6-20(14)15(21)22-8-11-7-16-4-5-17-11/h4-8,11-12,15,17H,9-10H2,1-3H3,(H,20,24)(H,21,22);4-8,11-12,15,17H,9-10H2,1-3H3,(H,20,21);3-7,10-11,14,16H,8-9H2,1-2H3,(H2,19,23)(H,20,21);3-7,12-13,17H,8-11H2,1-2H3,(H,19,20);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);4-5,7,9-10,14H,3,6,8H2,1-2H3,(H,18,19)/t2*15-,17-;14-,16-;;;;/m000..../s1.

What are the key properties of benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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?

benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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 has a molecular weight of 2322.15 g/mol, XLogP of 18.73, 26 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;benzyl (4S,6S)-6-(methylcarbamoyl)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;5-O-benzyl 6-O-methyl (4S,6S)-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxylate;(5-chloro-2-pyridinyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2-phenoxyethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;pyrazin-2-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 is sourced from PubChem (CID 159665133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).