(5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C22H22FN5O2 — CID 129324855

About (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 129324855) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 129324855
• Molecular Formula: C22H22FN5O2
• Molecular Weight: 407.45 g/mol
• Exact Mass: 407.18
• IUPAC Name: (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccnc2)CC3)c(F)c1
• InChI: InChI=1S/C22H22FN5O2/c1-14-4-5-19(18(23)9-14)27-22(30)17-13-26-28-8-6-15(10-20(17)28)11-25-21(29)16-3-2-7-24-12-16/h2-5,7,9,12-13,15H,6,8,10-11H2,1H3,(H,25,29)(H,27,30)/t15-/m0/s1
• InChIKey: SMMUNGBCRLLTIX-HNNXBMFYSA-N
• XLogP: 2.97
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.45
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 129324855) is (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccnc2)CC3)c(F)c1.

What is the InChIKey of (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is SMMUNGBCRLLTIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-14-4-5-19(18(23)9-14)27-22(30)17-13-26-28-8-6-15(10-20(17)28)11-25-21(29)16-3-2-7-24-12-16/h2-5,7,9,12-13,15H,6,8,10-11H2,1H3,(H,25,29)(H,27,30)/t15-/m0/s1.

What are the key properties of (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

(5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 129324855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).