1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one

C26H32N6O2 — CID 176991326

About 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one

1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one (PubChem CID 176991326) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one
• PubChem CID: 176991326
• Molecular Formula: C26H32N6O2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.26
• IUPAC Name: 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one
• SMILES: CN1CC(CCN[C@H](c2ccccc2)[C@@H]2CNc3cc(-c4cnn(C)c4)cnc3O2)CCC1=O
• InChI: InChI=1S/C26H32N6O2/c1-31-16-18(8-9-24(31)33)10-11-27-25(19-6-4-3-5-7-19)23-15-28-22-12-20(13-29-26(22)34-23)21-14-30-32(2)17-21/h3-7,12-14,17-18,23,25,27-28H,8-11,15-16H2,1-2H3/t18?,23-,25+/m0/s1
• InChIKey: PORJPUJXGUVJGH-OYHZEJGOSA-N
• XLogP: 3.24
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one?

The IUPAC name of 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one (CID 176991326) is 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one.

What is the SMILES notation for 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one?

The canonical SMILES for 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one is CN1CC(CCN[C@H](c2ccccc2)[C@@H]2CNc3cc(-c4cnn(C)c4)cnc3O2)CCC1=O.

What is the InChIKey of 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one?

The InChIKey is PORJPUJXGUVJGH-OYHZEJGOSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-31-16-18(8-9-24(31)33)10-11-27-25(19-6-4-3-5-7-19)23-15-28-22-12-20(13-29-26(22)34-23)21-14-30-32(2)17-21/h3-7,12-14,17-18,23,25,27-28H,8-11,15-16H2,1-2H3/t18?,23-,25+/m0/s1.

What are the key properties of 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one?

1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one has a molecular weight of 460.58 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[2-[[(R)-[(3S)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]-phenylmethyl]amino]ethyl]piperidin-2-one is sourced from PubChem (CID 176991326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).