N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide)

C75H93N9O17 — CID 159651361

IUPACN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide)
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1
InChIInChI=1S/2C28H37N3O7.C19H19N3O3/c2*1-28(2,3)25(32)24-18-21-17-22(19-29-26(21)31-24)30-27(33)20-5-7-23(8-6-20)38-16-15-37-14-13-36-12-11-35-10-9-34-4;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/h2*5-8,17-19H,9-16H2,1-4H3,(H,29,31)(H,30,33);4-10,23H,1-3H3,(H,20,22)(H,21,25)
InChIKeyMRPMEKQFGIFUCV-UHFFFAOYSA-N
MW1392.61 g/mol
LogP11.99
Rot. Bonds35

About N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide)

N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide) (PubChem CID 159651361) has the molecular formula C75H93N9O17 and a molecular weight of 1392.61 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide).

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide)
PubChem CID159651361
Molecular FormulaC75H93N9O17
Molecular Weight1392.61 g/mol
Exact Mass1391.67
IUPAC NameN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide)
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1
InChIInChI=1S/2C28H37N3O7.C19H19N3O3/c2*1-28(2,3)25(32)24-18-21-17-22(19-29-26(21)31-24)30-27(33)20-5-7-23(8-6-20)38-16-15-37-14-13-36-12-11-35-10-9-34-4;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/h2*5-8,17-19H,9-16H2,1-4H3,(H,29,31)(H,30,33);4-10,23H,1-3H3,(H,20,22)(H,21,25)
InChIKeyMRPMEKQFGIFUCV-UHFFFAOYSA-N
XLogP11.99
TPSA337.08 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001392.61
LogP ≤ 511.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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

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Related Compounds

5-[4-[4-[5-(4-ethoxy-3-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methyl-pyridine-2-carboxamide
CID 118413912
5-[4-[4-[5-(4-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methyl-pyridine-2-carboxamide
CID 118413965
N-[3-[(dimethylamino)methyl]phenyl]-4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 59151363
4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 59151371
4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 11524534
1-[1-[4-[6-(3H-imidazo[4,5-c]pyridin-2-yl)-6-oxohexoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19031006
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 58408623
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 58408673
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 58408777
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 58408794
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 58408851
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 58408884

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide)?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide) (CID 159651361) is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide).
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide)?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide) is CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(O)cc3)cnc2[nH]1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.COCCOCCOCCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)cc1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide)?
The InChIKey is MRPMEKQFGIFUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H37N3O7.C19H19N3O3/c2*1-28(2,3)25(32)24-18-21-17-22(19-29-26(21)31-24)30-27(33)20-5-7-23(8-6-20)38-16-15-37-14-13-36-12-11-35-10-9-34-4;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/h2*5-8,17-19H,9-16H2,1-4H3,(H,29,31)(H,30,33);4-10,23H,1-3H3,(H,20,22)(H,21,25).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide)?
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide) has a molecular weight of 1392.61 g/mol, XLogP of 11.99, 35 rotatable bonds, 7 hydrogen bond donors, and 20 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-hydroxybenzamide;bis(N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide) is sourced from PubChem (CID 159651361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).