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

C24H24N6O3S — CID 88580014

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

7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 88580014) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

• Compound Name: 7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
• PubChem CID: 88580014
• Molecular Formula: C24H24N6O3S
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.16
• IUPAC Name: 7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
• SMILES: C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccsc5)nc4)cnn3c(N)c2C=O)CC1
• InChI: InChI=1S/C24H24N6O3S/c1-14(32)24(33)29-7-4-15(5-8-29)21-19(12-31)22(25)30-23(28-21)18(11-27-30)16-2-3-20(26-10-16)17-6-9-34-13-17/h2-3,6,9-15,32H,4-5,7-8,25H2,1H3/t14-/m1/s1
• InChIKey: FEQAQGHAYZXBMH-CQSZACIVSA-N
• XLogP: 3.00
• TPSA: 126.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
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-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?

The IUPAC name of 7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 88580014) is 7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

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

The canonical SMILES for 7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccsc5)nc4)cnn3c(N)c2C=O)CC1.

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

The InChIKey is FEQAQGHAYZXBMH-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-14(32)24(33)29-7-4-15(5-8-29)21-19(12-31)22(25)30-23(28-21)18(11-27-30)16-2-3-20(26-10-16)17-6-9-34-13-17/h2-3,6,9-15,32H,4-5,7-8,25H2,1H3/t14-/m1/s1.

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

7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 476.56 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 88580014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).