7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde

C26H25N9O3 — CID 88580021

About 7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde

7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 88580021) has the molecular formula C26H25N9O3 and a molecular weight of 511.55 g/mol. Its IUPAC name is 7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

• Compound Name: 7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
• PubChem CID: 88580021
• Molecular Formula: C26H25N9O3
• Molecular Weight: 511.55 g/mol
• Exact Mass: 511.21
• IUPAC Name: 7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
• SMILES: Cc1nnc(C(=O)N2CCC(c3nc4c(-c5ccc(-c6ccn(C)c6)nc5)cnn4c(N)c3C=O)CC2)o1
• InChI: InChI=1S/C26H25N9O3/c1-15-31-32-25(38-15)26(37)34-9-6-16(7-10-34)22-20(14-36)23(27)35-24(30-22)19(12-29-35)17-3-4-21(28-11-17)18-5-8-33(2)13-18/h3-5,8,11-14,16H,6-7,9-10,27H2,1-2H3
• InChIKey: OPLUYZNVYSANLP-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 150.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.55
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 88580021) is 7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

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

The canonical SMILES for 7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is Cc1nnc(C(=O)N2CCC(c3nc4c(-c5ccc(-c6ccn(C)c6)nc5)cnn4c(N)c3C=O)CC2)o1.

What is the InChIKey of 7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?

The InChIKey is OPLUYZNVYSANLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O3/c1-15-31-32-25(38-15)26(37)34-9-6-16(7-10-34)22-20(14-36)23(27)35-24(30-22)19(12-29-35)17-3-4-21(28-11-17)18-5-8-33(2)13-18/h3-5,8,11-14,16H,6-7,9-10,27H2,1-2H3.

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

7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 511.55 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-5-[1-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 88580021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).