2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H19N7O2S — CID 121259310

About 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121259310) has the molecular formula C24H19N7O2S and a molecular weight of 469.53 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 121259310
• Molecular Formula: C24H19N7O2S
• Molecular Weight: 469.53 g/mol
• Exact Mass: 469.13
• IUPAC Name: 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC#Cc1csc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
• InChI: InChI=1S/C24H19N7O2S/c1-3-8-15-13-34-23-17(15)24(33)31(16-9-5-4-6-10-16)20(28-23)14(2)27-22(32)18-19(25)29-30-12-7-11-26-21(18)30/h4-7,9-14H,1-2H3,(H2,25,29)(H,27,32)/t14-/m0/s1
• InChIKey: LZDOAJQVXDAKPD-AWEZNQCLSA-N
• XLogP: 2.93
• TPSA: 120.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.53
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121259310) is 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC#Cc1csc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12.

What is the InChIKey of 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LZDOAJQVXDAKPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H19N7O2S/c1-3-8-15-13-34-23-17(15)24(33)31(16-9-5-4-6-10-16)20(28-23)14(2)27-22(32)18-19(25)29-30-12-7-11-26-21(18)30/h4-7,9-14H,1-2H3,(H2,25,29)(H,27,32)/t14-/m0/s1.

What are the key properties of 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121259310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).