6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C24H23FN6O3 — CID 25175721

IUPAC6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ccc2c(c1F)C(=O)N(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2
InChIInChI=1S/C24H23FN6O3/c1-34-19-6-5-15-14-31(24(33)21(15)22(19)25)20-4-2-3-16(28-20)23(32)29-17-13-27-8-7-18(17)30-11-9-26-10-12-30/h2-8,13,26H,9-12,14H2,1H3,(H,29,32)
InChIKeyYYXATLVGXLIOIN-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.45
Rot. Bonds5

About 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 25175721) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID25175721
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Name6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ccc2c(c1F)C(=O)N(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2
InChIInChI=1S/C24H23FN6O3/c1-34-19-6-5-15-14-31(24(33)21(15)22(19)25)20-4-2-3-16(28-20)23(32)29-17-13-27-8-7-18(17)30-11-9-26-10-12-30/h2-8,13,26H,9-12,14H2,1H3,(H,29,32)
InChIKeyYYXATLVGXLIOIN-UHFFFAOYSA-N
XLogP2.45
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 25175721) is 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is COc1ccc2c(c1F)C(=O)N(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.
What is the InChIKey of 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is YYXATLVGXLIOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-34-19-6-5-15-14-31(24(33)21(15)22(19)25)20-4-2-3-16(28-20)23(32)29-17-13-27-8-7-18(17)30-11-9-26-10-12-30/h2-8,13,26H,9-12,14H2,1H3,(H,29,32).
What are the key properties of 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 25175721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).