6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C24H23FN6O3 — CID 91442768

IUPAC6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ccc2cn(-c3cccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c(O)c2c1F
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/h2-8,13-14,26,33H,9-12H2,1H3,(H,29,32)
InChIKeyDEVUVTOENSSHEJ-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.94
Rot. Bonds5

About 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 91442768) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID91442768
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Name6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ccc2cn(-c3cccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c(O)c2c1F
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/h2-8,13-14,26,33H,9-12H2,1H3,(H,29,32)
InChIKeyDEVUVTOENSSHEJ-UHFFFAOYSA-N
XLogP2.94
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 91442768) is 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is COc1ccc2cn(-c3cccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c(O)c2c1F.
What is the InChIKey of 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is DEVUVTOENSSHEJ-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/h2-8,13-14,26,33H,9-12H2,1H3,(H,29,32).
What are the key properties of 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 91442768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).