N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid

C₁₀₁H₁₁₅N₂₇O₁₀ — CID 157211507

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid (PubChem CID 157211507) has the molecular formula C₁₀₁H₁₁₅N₂₇O₁₀ and a molecular weight of 1867.21 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid
• PubChem CID: 157211507
• Molecular Formula: C₁₀₁H₁₁₅N₂₇O₁₀
• Molecular Weight: 1867.21 g/mol
• Exact Mass: 1865.93
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid
• SMILES: C.COC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1.NCc1ccc(Cn2cccn2)cc1.O=C(O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1.[C-]#[N+]/C(=C\N(C)C)C(=O)OC
• InChI: InChI=1S/C28H33N7O3.C23H25N7O.C16H16N4O2.C15H14N4O2.C11H13N3.C7H10N2O2.CH4/c1-19-13-25(33-27(37)38-28(3,4)5)32-20(2)23(19)14-29-26(36)24-17-34(18-30-24)15-21-7-9-22(10-8-21)16-35-12-6-11-31-35;1-16-10-22(24)28-17(2)20(16)11-25-23(31)21-14-29(15-26-21)12-18-4-6-19(7-5-18)13-30-9-3-8-27-30;1-22-16(21)15-11-19(12-17-15)9-13-3-5-14(6-4-13)10-20-8-2-7-18-20;20-15(21)14-10-18(11-16-14)8-12-2-4-13(5-3-12)9-19-7-1-6-17-19;12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14;1-8-6(5-9(2)3)7(10)11-4;/h6-13,17-18H,14-16H2,1-5H3,(H,29,36)(H,32,33,37);3-10,14-15H,11-13H2,1-2H3,(H2,24,28)(H,25,31);2-8,11-12H,9-10H2,1H3;1-7,10-11H,8-9H2,(H,20,21);1-7H,8-9,12H2;5H,2-4H3;1H4/b;;;;;6-5-
• InChIKey: ARYCSEBMEVWXLZ-PBLUIJAZSA-N
• XLogP: 13.51
• TPSA: 432.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1867.21
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid (CID 157211507) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid is C.COC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1.NCc1ccc(Cn2cccn2)cc1.O=C(O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1.[C-]#[N+]/C(=C\N(C)C)C(=O)OC.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid?

The InChIKey is ARYCSEBMEVWXLZ-PBLUIJAZSA-N. The full InChI is InChI=1S/C28H33N7O3.C23H25N7O.C16H16N4O2.C15H14N4O2.C11H13N3.C7H10N2O2.CH4/c1-19-13-25(33-27(37)38-28(3,4)5)32-20(2)23(19)14-29-26(36)24-17-34(18-30-24)15-21-7-9-22(10-8-21)16-35-12-6-11-31-35;1-16-10-22(24)28-17(2)20(16)11-25-23(31)21-14-29(15-26-21)12-18-4-6-19(7-5-18)13-30-9-3-8-27-30;1-22-16(21)15-11-19(12-17-15)9-13-3-5-14(6-4-13)10-20-8-2-7-18-20;20-15(21)14-10-18(11-16-14)8-12-2-4-13(5-3-12)9-19-7-1-6-17-19;12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14;1-8-6(5-9(2)3)7(10)11-4;/h6-13,17-18H,14-16H2,1-5H3,(H,29,36)(H,32,33,37);3-10,14-15H,11-13H2,1-2H3,(H2,24,28)(H,25,31);2-8,11-12H,9-10H2,1H3;1-7,10-11H,8-9H2,(H,20,21);1-7H,8-9,12H2;5H,2-4H3;1H4/b;;;;;6-5-;.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid has a molecular weight of 1867.21 g/mol, XLogP of 13.51, 30 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide;tert-butyl N-[4,6-dimethyl-5-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]-2-pyridinyl]carbamate;methane;methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate;methyl 1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylate;[4-(pyrazol-1-ylmethyl)phenyl]methanamine;1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 157211507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157211507 — identifiers, structure, computed properties (public domain)

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