2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H23N9O — CID 121259534

About 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121259534) has the molecular formula C28H23N9O and a molecular weight of 501.55 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 121259534
• Molecular Formula: C28H23N9O
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.20
• IUPAC Name: 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3ccn(C)n3)n2c1-c1ccccc1
• InChI: InChI=1S/C28H23N9O/c1-18(31-28(38)23-26(29)34-36-16-7-15-30-27(23)36)24-25(19-8-4-3-5-9-19)37-21(10-6-11-22(37)32-24)13-12-20-14-17-35(2)33-20/h3-11,14-18H,1-2H3,(H2,29,34)(H,31,38)/t18-/m1/s1
• InChIKey: FQMOFRPJIQVCPP-GOSISDBHSA-N
• XLogP: 3.25
• TPSA: 120.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	3.25
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-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121259534) is 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3ccn(C)n3)n2c1-c1ccccc1.

What is the InChIKey of 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is FQMOFRPJIQVCPP-GOSISDBHSA-N. The full InChI is InChI=1S/C28H23N9O/c1-18(31-28(38)23-26(29)34-36-16-7-15-30-27(23)36)24-25(19-8-4-3-5-9-19)37-21(10-6-11-22(37)32-24)13-12-20-14-17-35(2)33-20/h3-11,14-18H,1-2H3,(H2,29,34)(H,31,38)/t18-/m1/s1.

What are the key properties of 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 501.55 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121259534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).