N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C94H77N21O3 — CID 157257433

About N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157257433) has the molecular formula C94H77N21O3 and a molecular weight of 1548.79 g/mol. Its IUPAC name is N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 157257433
• Molecular Formula: C94H77N21O3
• Molecular Weight: 1548.79 g/mol
• Exact Mass: 1547.65
• IUPAC Name: N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C#Cc3ccn(C)n3)c2nc1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C#Cc3cnn(C)c3C)c2nc1-c1ccccc1
• InChI: InChI=1S/C32H27N7O.2C31H25N7O/c1-20(35-32(40)28-21(2)37-39-17-9-16-33-31(28)39)27-18-25-13-8-12-24(14-15-26-19-34-38(4)22(26)3)29(25)36-30(27)23-10-6-5-7-11-23;1-20(33-31(39)27-21(2)35-38-17-8-16-32-30(27)38)26-19-24-12-7-11-23(13-14-25-15-18-37(3)36-25)28(24)34-29(26)22-9-5-4-6-10-22;1-20(34-31(39)27-21(2)36-38-16-8-15-32-30(27)38)26-17-25-12-7-11-24(14-13-22-18-33-37(3)19-22)28(25)35-29(26)23-9-5-4-6-10-23/h5-13,16-20H,1-4H3,(H,35,40);4-12,15-20H,1-3H3,(H,33,39);4-12,15-20H,1-3H3,(H,34,39)/t3*20-/m000/s1
• InChIKey: AXBBAZVILCLVGC-IEISWNCNSA-N
• XLogP: 14.94
• TPSA: 270.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.79
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157257433) is N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C#Cc3ccn(C)n3)c2nc1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(C#Cc3cnn(C)c3C)c2nc1-c1ccccc1.

What is the InChIKey of N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AXBBAZVILCLVGC-IEISWNCNSA-N. The full InChI is InChI=1S/C32H27N7O.2C31H25N7O/c1-20(35-32(40)28-21(2)37-39-17-9-16-33-31(28)39)27-18-25-13-8-12-24(14-15-26-19-34-38(4)22(26)3)29(25)36-30(27)23-10-6-5-7-11-23;1-20(33-31(39)27-21(2)35-38-17-8-16-32-30(27)38)26-19-24-12-7-11-23(13-14-25-15-18-37(3)36-25)28(24)34-29(26)22-9-5-4-6-10-22;1-20(34-31(39)27-21(2)36-38-16-8-15-32-30(27)38)26-17-25-12-7-11-24(14-13-22-18-33-37(3)19-22)28(25)35-29(26)23-9-5-4-6-10-23/h5-13,16-20H,1-4H3,(H,35,40);4-12,15-20H,1-3H3,(H,33,39);4-12,15-20H,1-3H3,(H,34,39)/t3*20-/m000/s1.

What are the key properties of N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1548.79 g/mol, XLogP of 14.94, 12 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[8-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157257433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).