(5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C19H26N4O2 — CID 129489612

About (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 129489612) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 129489612
• Molecular Formula: C19H26N4O2
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.21
• IUPAC Name: (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COC[C@H](Cc1ccccc1)NC[C@H]1CCn2ncc(C(N)=O)c2C1
• InChI: InChI=1S/C19H26N4O2/c1-25-13-16(9-14-5-3-2-4-6-14)21-11-15-7-8-23-18(10-15)17(12-22-23)19(20)24/h2-6,12,15-16,21H,7-11,13H2,1H3,(H2,20,24)/t15-,16-/m0/s1
• InChIKey: ZDZXJILREQSADD-HOTGVXAUSA-N
• XLogP: 1.39
• TPSA: 82.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 129489612) is (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COC[C@H](Cc1ccccc1)NC[C@H]1CCn2ncc(C(N)=O)c2C1.

What is the InChIKey of (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is ZDZXJILREQSADD-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-25-13-16(9-14-5-3-2-4-6-14)21-11-15-7-8-23-18(10-15)17(12-22-23)19(20)24/h2-6,12,15-16,21H,7-11,13H2,1H3,(H2,20,24)/t15-,16-/m0/s1.

What are the key properties of (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

(5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 129489612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).