2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide

C29H26N6O2 — CID 59548784

IUPAC2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccccc1N1CCN(C(=O)Cn2ccc3cccnc32)CC1
InChIInChI=1S/C29H26N6O2/c36-27(20-35-13-11-21-7-5-12-30-28(21)35)34-16-14-33(15-17-34)26-10-4-2-8-24(26)29(37)32-23-18-22-6-1-3-9-25(22)31-19-23/h1-13,18-19H,14-17,20H2,(H,32,37)
InChIKeyNOWOIYARFXVTAF-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.19
Rot. Bonds5

About 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide

2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide (PubChem CID 59548784) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide
PubChem CID59548784
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccccc1N1CCN(C(=O)Cn2ccc3cccnc32)CC1
InChIInChI=1S/C29H26N6O2/c36-27(20-35-13-11-21-7-5-12-30-28(21)35)34-16-14-33(15-17-34)26-10-4-2-8-24(26)29(37)32-23-18-22-6-1-3-9-25(22)31-19-23/h1-13,18-19H,14-17,20H2,(H,32,37)
InChIKeyNOWOIYARFXVTAF-UHFFFAOYSA-N
XLogP4.19
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide with MolForge

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Related Compounds

5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid
CID 68793517
1-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
CID 59564336
2-(2-methoxyethoxy)-N-quinolin-3-ylpyridine-3-carboxamide
CID 60566317
2-(dimethylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 38938974
N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide
CID 59548758
2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
CID 123428745
2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
CID 59548845
2-imidazo[4,5-b]pyridin-3-yl-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564331
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
CID 59548921
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide?
The IUPAC name of 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide (CID 59548784) is 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide?
The canonical SMILES for 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1ccccc1N1CCN(C(=O)Cn2ccc3cccnc32)CC1.
What is the InChIKey of 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide?
The InChIKey is NOWOIYARFXVTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c36-27(20-35-13-11-21-7-5-12-30-28(21)35)34-16-14-33(15-17-34)26-10-4-2-8-24(26)29(37)32-23-18-22-6-1-3-9-25(22)31-19-23/h1-13,18-19H,14-17,20H2,(H,32,37).
What are the key properties of 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide?
2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide has a molecular weight of 490.57 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 59548784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).