7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde

C26H27N7O3 — CID 88580012

About 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde

7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 88580012) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

• Compound Name: 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
• PubChem CID: 88580012
• Molecular Formula: C26H27N7O3
• Molecular Weight: 485.55 g/mol
• Exact Mass: 485.22
• IUPAC Name: 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
• SMILES: Nc1c(C=O)c(C2CCN(C(=O)[C@@H](N)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C26H27N7O3/c27-21(15-35)26(36)32-10-8-17(9-11-32)23-20(14-34)24(28)33-25(31-23)19(13-30-33)18-6-7-22(29-12-18)16-4-2-1-3-5-16/h1-7,12-14,17,21,35H,8-11,15,27-28H2/t21-/m0/s1
• InChIKey: VAOOYFMLVZRMFP-NRFANRHFSA-N
• XLogP: 1.88
• TPSA: 152.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.55
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?

The IUPAC name of 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 88580012) is 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

What is the SMILES notation for 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?

The canonical SMILES for 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is Nc1c(C=O)c(C2CCN(C(=O)[C@@H](N)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?

The InChIKey is VAOOYFMLVZRMFP-NRFANRHFSA-N. The full InChI is InChI=1S/C26H27N7O3/c27-21(15-35)26(36)32-10-8-17(9-11-32)23-20(14-34)24(28)33-25(31-23)19(13-30-33)18-6-7-22(29-12-18)16-4-2-1-3-5-16/h1-7,12-14,17,21,35H,8-11,15,27-28H2/t21-/m0/s1.

What are the key properties of 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?

7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 485.55 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-5-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 88580012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).