N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one

C81H83N9O13 — CID 157079516

About N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one

N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 157079516) has the molecular formula C81H83N9O13 and a molecular weight of 1390.60 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 157079516
• Molecular Formula: C81H83N9O13
• Molecular Weight: 1390.60 g/mol
• Exact Mass: 1389.61
• IUPAC Name: N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(OCCO)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(O)cc3)ccc2n1
• InChI: InChI=1S/C21H23N3O4.3C20H20N2O3/c1-21(2,3)18(26)17-11-14-10-15(12-22-19(14)24-17)23-20(27)13-4-6-16(7-5-13)28-9-8-25;1-20(2,3)19(25)16-12-22-11-13(4-9-18(22)21-16)10-17(24)14-5-7-15(23)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-21-19(14)22-16)9-17(24)13-4-6-15(23)7-5-13;1-20(2,3)19(25)16-9-13-8-14(21-11-17(13)22-16)10-18(24)12-4-6-15(23)7-5-12/h4-7,10-12,25H,8-9H2,1-3H3,(H,22,24)(H,23,27);4-9,11-12,23H,10H2,1-3H3;4-8,10-11,23H,9H2,1-3H3,(H,21,22);4-9,11,22-23H,10H2,1-3H3
• InChIKey: ADJFRBDJLLPMPY-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 342.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1390.60
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one (CID 157079516) is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(OCCO)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(O)cc3)ccc2n1.

What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one?

The InChIKey is ADJFRBDJLLPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4.3C20H20N2O3/c1-21(2,3)18(26)17-11-14-10-15(12-22-19(14)24-17)23-20(27)13-4-6-16(7-5-13)28-9-8-25;1-20(2,3)19(25)16-12-22-11-13(4-9-18(22)21-16)10-17(24)14-5-7-15(23)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-21-19(14)22-16)9-17(24)13-4-6-15(23)7-5-13;1-20(2,3)19(25)16-9-13-8-14(21-11-17(13)22-16)10-18(24)12-4-6-15(23)7-5-12/h4-7,10-12,25H,8-9H2,1-3H3,(H,22,24)(H,23,27);4-9,11-12,23H,10H2,1-3H3;4-8,10-11,23H,9H2,1-3H3,(H,21,22);4-9,11,22-23H,10H2,1-3H3.

What are the key properties of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one?

N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 1390.60 g/mol, XLogP of 14.95, 18 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(2-hydroxyethoxy)benzamide;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 157079516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).