N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C22H24N6O2 — CID 31882277

About N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 31882277) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 31882277
• Molecular Formula: C22H24N6O2
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.20
• IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1ccc([C@H](CNc2ncnc3c2cnn3-c2ccccc2)N2CCOCC2)o1
• InChI: InChI=1S/C22H24N6O2/c1-16-7-8-20(30-16)19(27-9-11-29-12-10-27)14-23-21-18-13-26-28(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13,15,19H,9-12,14H2,1H3,(H,23,24,25)/t19-/m0/s1
• InChIKey: PPHMTXFMIKBHJX-IBGZPJMESA-N
• XLogP: 3.20
• TPSA: 81.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 31882277) is N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc([C@H](CNc2ncnc3c2cnn3-c2ccccc2)N2CCOCC2)o1.

What is the InChIKey of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is PPHMTXFMIKBHJX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N6O2/c1-16-7-8-20(30-16)19(27-9-11-29-12-10-27)14-23-21-18-13-26-28(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13,15,19H,9-12,14H2,1H3,(H,23,24,25)/t19-/m0/s1.

What are the key properties of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?

N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 404.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 31882277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).