6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

C24H23FN6O3 — CID 134450314

IUPAC6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCOCCOCCn1cc(NC(=O)c2cccc(-c3ccncc3F)n2)c(-c2ccccn2)n1
InChIInChI=1S/C24H23FN6O3/c1-33-13-14-34-12-11-31-16-22(23(30-31)20-5-2-3-9-27-20)29-24(32)21-7-4-6-19(28-21)17-8-10-26-15-18(17)25/h2-10,15-16H,11-14H2,1H3,(H,29,32)
InChIKeyCTGOYKGXHHKJGU-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.46
Rot. Bonds10

About 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 134450314) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID134450314
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Name6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCOCCOCCn1cc(NC(=O)c2cccc(-c3ccncc3F)n2)c(-c2ccccn2)n1
InChIInChI=1S/C24H23FN6O3/c1-33-13-14-34-12-11-31-16-22(23(30-31)20-5-2-3-9-27-20)29-24(32)21-7-4-6-19(28-21)17-8-10-26-15-18(17)25/h2-10,15-16H,11-14H2,1H3,(H,29,32)
InChIKeyCTGOYKGXHHKJGU-UHFFFAOYSA-N
XLogP3.46
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (CID 134450314) is 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is COCCOCCn1cc(NC(=O)c2cccc(-c3ccncc3F)n2)c(-c2ccccn2)n1.
What is the InChIKey of 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is CTGOYKGXHHKJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-33-13-14-34-12-11-31-16-22(23(30-31)20-5-2-3-9-27-20)29-24(32)21-7-4-6-19(28-21)17-8-10-26-15-18(17)25/h2-10,15-16H,11-14H2,1H3,(H,29,32).
What are the key properties of 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134450314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).