N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C21H20FN5O2 — CID 128990675

About N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 128990675) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 128990675
• Molecular Formula: C21H20FN5O2
• Molecular Weight: 393.42 g/mol
• Exact Mass: 393.16
• IUPAC Name: N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: O=C(NCC1CCn2ncc(C(=O)Nc3ccc(F)cc3)c2C1)c1cccnc1
• InChI: InChI=1S/C21H20FN5O2/c22-16-3-5-17(6-4-16)26-21(29)18-13-25-27-9-7-14(10-19(18)27)11-24-20(28)15-2-1-8-23-12-15/h1-6,8,12-14H,7,9-11H2,(H,24,28)(H,26,29)
• InChIKey: HZWJZHHKIHMRLQ-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.42
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 128990675) is N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCC1CCn2ncc(C(=O)Nc3ccc(F)cc3)c2C1)c1cccnc1.

What is the InChIKey of N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is HZWJZHHKIHMRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-3-5-17(6-4-16)26-21(29)18-13-25-27-9-7-14(10-19(18)27)11-24-20(28)15-2-1-8-23-12-15/h1-6,8,12-14H,7,9-11H2,(H,24,28)(H,26,29).

What are the key properties of N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 128990675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).