5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C27H28FN5O2 — CID 90095478

IUPAC5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN4CCOCC4)c3c2)ccc1F
InChIInChI=1S/C27H28FN5O2/c1-19-16-21(5-6-24(19)28)26-22(4-2-8-29-26)20-7-11-33-25(17-20)23(18-31-33)27(34)30-9-3-10-32-12-14-35-15-13-32/h2,4-8,11,16-18H,3,9-10,12-15H2,1H3,(H,30,34)
InChIKeyVXYHQVSZRDOFAP-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.96
Rot. Bonds7

About 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 90095478) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID90095478
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN4CCOCC4)c3c2)ccc1F
InChIInChI=1S/C27H28FN5O2/c1-19-16-21(5-6-24(19)28)26-22(4-2-8-29-26)20-7-11-33-25(17-20)23(18-31-33)27(34)30-9-3-10-32-12-14-35-15-13-32/h2,4-8,11,16-18H,3,9-10,12-15H2,1H3,(H,30,34)
InChIKeyVXYHQVSZRDOFAP-UHFFFAOYSA-N
XLogP3.96
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 90095478) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NCCCN4CCOCC4)c3c2)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VXYHQVSZRDOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-19-16-21(5-6-24(19)28)26-22(4-2-8-29-26)20-7-11-33-25(17-20)23(18-31-33)27(34)30-9-3-10-32-12-14-35-15-13-32/h2,4-8,11,16-18H,3,9-10,12-15H2,1H3,(H,30,34).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90095478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).