[4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide

C97H131N23O22 — CID 157213977

About [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide

[4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide (PubChem CID 157213977) has the molecular formula C97H131N23O22 and a molecular weight of 1971.25 g/mol. Its IUPAC name is [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
• PubChem CID: 157213977
• Molecular Formula: C97H131N23O22
• Molecular Weight: 1971.25 g/mol
• Exact Mass: 1969.98
• IUPAC Name: [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
• SMILES: CN1CCN(C(=O)Oc2ccc(C(=O)Nc3ccc4nc(C(=O)C(C)(C)C)cn4c3)cc2)CC1.COCCOCCOCCOCCn1cc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)nn1.COCCOCCOCCOCCn1cc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1.COCCOCCOCCOCCn1cc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1
• InChI: InChI=1S/C25H29N5O4.3C24H34N6O6/c1-25(2,3)22(31)20-16-30-15-18(7-10-21(30)27-20)26-23(32)17-5-8-19(9-6-17)34-24(33)29-13-11-28(4)12-14-29;1-24(2,3)22(31)18-13-17-14-21(25-15-19(17)26-18)27-23(32)20-16-30(29-28-20)5-6-34-9-10-36-12-11-35-8-7-33-4;1-24(2,3)21(31)19-14-17-13-18(15-25-22(17)27-19)26-23(32)20-16-30(29-28-20)5-6-34-9-10-36-12-11-35-8-7-33-4;1-24(2,3)22(31)19-16-29-15-18(5-6-21(29)26-19)25-23(32)20-17-30(28-27-20)7-8-34-11-12-36-14-13-35-10-9-33-4/h5-10,15-16H,11-14H2,1-4H3,(H,26,32);13-16,26H,5-12H2,1-4H3,(H,25,27,32);13-16H,5-12H2,1-4H3,(H,25,27)(H,26,32);5-6,15-17H,7-14H2,1-4H3,(H,25,32)
• InChIKey: ASEZCPRHCUKLBY-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 512.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 49
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1971.25
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide?

The IUPAC name of [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide (CID 157213977) is [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide.

What is the SMILES notation for [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide?

The canonical SMILES for [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide is CN1CCN(C(=O)Oc2ccc(C(=O)Nc3ccc4nc(C(=O)C(C)(C)C)cn4c3)cc2)CC1.COCCOCCOCCOCCn1cc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)nn1.COCCOCCOCCOCCn1cc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1.COCCOCCOCCOCCn1cc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1.

What is the InChIKey of [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide?

The InChIKey is ASEZCPRHCUKLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4.3C24H34N6O6/c1-25(2,3)22(31)20-16-30-15-18(7-10-21(30)27-20)26-23(32)17-5-8-19(9-6-17)34-24(33)29-13-11-28(4)12-14-29;1-24(2,3)22(31)18-13-17-14-21(25-15-19(17)26-18)27-23(32)20-16-30(29-28-20)5-6-34-9-10-36-12-11-35-8-7-33-4;1-24(2,3)21(31)19-14-17-13-18(15-25-22(17)27-19)26-23(32)20-16-30(29-28-20)5-6-34-9-10-36-12-11-35-8-7-33-4;1-24(2,3)22(31)19-16-29-15-18(5-6-21(29)26-19)25-23(32)20-17-30(28-27-20)7-8-34-11-12-36-14-13-35-10-9-33-4/h5-10,15-16H,11-14H2,1-4H3,(H,26,32);13-16,26H,5-12H2,1-4H3,(H,25,27,32);13-16H,5-12H2,1-4H3,(H,25,27)(H,26,32);5-6,15-17H,7-14H2,1-4H3,(H,25,32).

What are the key properties of [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide?

[4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide has a molecular weight of 1971.25 g/mol, XLogP of 10.33, 49 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 157213977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).