N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide

C82H88N12O14 — CID 157088993

IUPACN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)ncc2[nH]1.COCCOc1ccc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)cc1.COCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1
InChIInChI=1S/2C22H25N3O4.2C19H19N3O3/c1-22(2,3)20(26)18-14-25-13-16(7-10-19(25)24-18)23-21(27)15-5-8-17(9-6-15)29-12-11-28-4;1-22(2,3)19(26)18-12-15-11-16(13-23-20(15)25-18)24-21(27)14-5-7-17(8-6-14)29-10-9-28-4;1-19(2,3)16(24)15-9-12-8-13(10-20-17(12)22-15)21-18(25)11-4-6-14(23)7-5-11;1-19(2,3)17(24)14-8-12-9-16(20-10-15(12)21-14)22-18(25)11-4-6-13(23)7-5-11/h5-10,13-14H,11-12H2,1-4H3,(H,23,27);5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,27);4-10,23H,1-3H3,(H,20,22)(H,21,25);4-10,21,23H,1-3H3,(H,20,22,25)
InChIKeyAEKWZIZKXUVWEU-UHFFFAOYSA-N
MW1465.68 g/mol
LogP15.41
Rot. Bonds20

About N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide

N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide (PubChem CID 157088993) has the molecular formula C82H88N12O14 and a molecular weight of 1465.68 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
PubChem CID157088993
Molecular FormulaC82H88N12O14
Molecular Weight1465.68 g/mol
Exact Mass1464.65
IUPAC NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)ncc2[nH]1.COCCOc1ccc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)cc1.COCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1
InChIInChI=1S/2C22H25N3O4.2C19H19N3O3/c1-22(2,3)20(26)18-14-25-13-16(7-10-19(25)24-18)23-21(27)15-5-8-17(9-6-15)29-12-11-28-4;1-22(2,3)19(26)18-12-15-11-16(13-23-20(15)25-18)24-21(27)14-5-7-17(8-6-14)29-10-9-28-4;1-19(2,3)16(24)15-9-12-8-13(10-20-17(12)22-15)21-18(25)11-4-6-14(23)7-5-11;1-19(2,3)17(24)14-8-12-9-16(20-10-15(12)21-14)22-18(25)11-4-6-13(23)7-5-11/h5-10,13-14H,11-12H2,1-4H3,(H,23,27);5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,27);4-10,23H,1-3H3,(H,20,22)(H,21,25);4-10,21,23H,1-3H3,(H,20,22,25)
InChIKeyAEKWZIZKXUVWEU-UHFFFAOYSA-N
XLogP15.41
TPSA365.40 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms108
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001465.68
LogP ≤ 515.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide (CID 157088993) is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide is CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)ncc2[nH]1.COCCOc1ccc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)cc1.COCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
The InChIKey is AEKWZIZKXUVWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25N3O4.2C19H19N3O3/c1-22(2,3)20(26)18-14-25-13-16(7-10-19(25)24-18)23-21(27)15-5-8-17(9-6-15)29-12-11-28-4;1-22(2,3)19(26)18-12-15-11-16(13-23-20(15)25-18)24-21(27)14-5-7-17(8-6-14)29-10-9-28-4;1-19(2,3)16(24)15-9-12-8-13(10-20-17(12)22-15)21-18(25)11-4-6-14(23)7-5-11;1-19(2,3)17(24)14-8-12-9-16(20-10-15(12)21-14)22-18(25)11-4-6-13(23)7-5-11/h5-10,13-14H,11-12H2,1-4H3,(H,23,27);5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,27);4-10,23H,1-3H3,(H,20,22)(H,21,25);4-10,21,23H,1-3H3,(H,20,22,25).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide?
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide has a molecular weight of 1465.68 g/mol, XLogP of 15.41, 20 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methoxyethoxy)benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide is sourced from PubChem (CID 157088993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).