N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate

C89H101N17O9 — CID 158763031

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate (PubChem CID 158763031) has the molecular formula C89H101N17O9 and a molecular weight of 1552.90 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate
• PubChem CID: 158763031
• Molecular Formula: C89H101N17O9
• Molecular Weight: 1552.90 g/mol
• Exact Mass: 1551.80
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate
• SMILES: COC(=O)c1ccc2[nH]c(C)cc2c1.COC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1.Cc1cc2cc(CO)ccc2n1C
• InChI: InChI=1S/C28H34N6O3.C23H26N6O.C16H17N3O2.C11H11NO2.C11H13NO/c1-17-10-25(32-27(36)37-28(4,5)6)31-19(3)23(17)14-29-26(35)22-13-30-34(16-22)15-20-8-9-24-21(12-20)11-18(2)33(24)7;1-14-7-22(24)27-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-6-21-18(9-17)8-15(2)28(21)4;1-11-6-13-7-12(4-5-15(13)18(11)2)9-19-10-14(8-17-19)16(20)21-3;1-7-5-9-6-8(11(13)14-2)3-4-10(9)12-7;1-8-5-10-6-9(7-13)3-4-11(10)12(8)2/h8-13,16H,14-15H2,1-7H3,(H,29,35)(H,31,32,36);5-10,13H,11-12H2,1-4H3,(H2,24,27)(H,25,30);4-8,10H,9H2,1-3H3;3-6,12H,1-2H3;3-6,13H,7H2,1-2H3
• InChIKey: IOXGTXVTUIOIGL-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 310.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1552.90
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate (CID 158763031) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]c(C)cc2c1.COC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1.Cc1cc2cc(CO)ccc2n1C.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate?

The InChIKey is IOXGTXVTUIOIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3.C23H26N6O.C16H17N3O2.C11H11NO2.C11H13NO/c1-17-10-25(32-27(36)37-28(4,5)6)31-19(3)23(17)14-29-26(35)22-13-30-34(16-22)15-20-8-9-24-21(12-20)11-18(2)33(24)7;1-14-7-22(24)27-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-6-21-18(9-17)8-15(2)28(21)4;1-11-6-13-7-12(4-5-15(13)18(11)2)9-19-10-14(8-17-19)16(20)21-3;1-7-5-9-6-8(11(13)14-2)3-4-10(9)12-7;1-8-5-10-6-9(7-13)3-4-11(10)12(8)2/h8-13,16H,14-15H2,1-7H3,(H,29,35)(H,31,32,36);5-10,13H,11-12H2,1-4H3,(H2,24,27)(H,25,30);4-8,10H,9H2,1-3H3;3-6,12H,1-2H3;3-6,13H,7H2,1-2H3.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate has a molecular weight of 1552.90 g/mol, XLogP of 15.04, 16 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate is sourced from PubChem (CID 158763031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).