(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one

C22H26N4O3 — CID 95199668

About (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one

(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one (PubChem CID 95199668) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
• PubChem CID: 95199668
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
• SMILES: COc1cccc(CN2CCC[C@](O)(CNCc3cnn4ccccc34)C2=O)c1
• InChI: InChI=1S/C22H26N4O3/c1-29-19-7-4-6-17(12-19)15-25-10-5-9-22(28,21(25)27)16-23-13-18-14-24-26-11-3-2-8-20(18)26/h2-4,6-8,11-12,14,23,28H,5,9-10,13,15-16H2,1H3/t22-/m0/s1
• InChIKey: OUEOGCKULJDBAG-QFIPXVFZSA-N
• XLogP: 1.99
• TPSA: 79.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?

The IUPAC name of (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one (CID 95199668) is (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one.

What is the SMILES notation for (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?

The canonical SMILES for (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one is COc1cccc(CN2CCC[C@](O)(CNCc3cnn4ccccc34)C2=O)c1.

What is the InChIKey of (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?

The InChIKey is OUEOGCKULJDBAG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-19-7-4-6-17(12-19)15-25-10-5-9-22(28,21(25)27)16-23-13-18-14-24-26-11-3-2-8-20(18)26/h2-4,6-8,11-12,14,23,28H,5,9-10,13,15-16H2,1H3/t22-/m0/s1.

What are the key properties of (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?

(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 95199668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).