2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C93H76N16O4S — CID 157049430

About 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 157049430) has the molecular formula C93H76N16O4S and a molecular weight of 1513.81 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 157049430
• Molecular Formula: C93H76N16O4S
• Molecular Weight: 1513.81 g/mol
• Exact Mass: 1512.60
• IUPAC Name: 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1cc2cccc(C#Cc3cnn(C)c3)c2n1-c1ccccc1.Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1oc2cccc(C#Cc3cnn(C)c3)c2c1-c1ccccc1.Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1sc2cccc(C#Cc3cnn(C)c3)c2c1-c1ccccc1
• InChI: InChI=1S/C31H26N6O.C31H25N5O2.C31H25N5OS/c1-21(33-31(38)29-22(2)34-36-17-8-7-14-27(29)36)28-18-25-11-9-10-24(16-15-23-19-32-35(3)20-23)30(25)37(28)26-12-5-4-6-13-26;2*1-20-27(25-13-7-8-17-36(25)34-20)31(37)33-21(2)30-29(23-10-5-4-6-11-23)28-24(12-9-14-26(28)38-30)16-15-22-18-32-35(3)19-22/h4-14,17-21H,1-3H3,(H,33,38);2*4-14,17-19,21H,1-3H3,(H,33,37)/t3*21-/m000/s1
• InChIKey: AAAHJCLWZVBPJL-VHEBOICXSA-N
• XLogP: 17.04
• TPSA: 210.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1513.81
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 157049430) is 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1cc2cccc(C#Cc3cnn(C)c3)c2n1-c1ccccc1.Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1oc2cccc(C#Cc3cnn(C)c3)c2c1-c1ccccc1.Cc1nn2ccccc2c1C(=O)N[C@@H](C)c1sc2cccc(C#Cc3cnn(C)c3)c2c1-c1ccccc1.

What is the InChIKey of 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is AAAHJCLWZVBPJL-VHEBOICXSA-N. The full InChI is InChI=1S/C31H26N6O.C31H25N5O2.C31H25N5OS/c1-21(33-31(38)29-22(2)34-36-17-8-7-14-27(29)36)28-18-25-11-9-10-24(16-15-23-19-32-35(3)20-23)30(25)37(28)26-12-5-4-6-13-26;2*1-20-27(25-13-7-8-17-36(25)34-20)31(37)33-21(2)30-29(23-10-5-4-6-11-23)28-24(12-9-14-26(28)38-30)16-15-22-18-32-35(3)19-22/h4-14,17-21H,1-3H3,(H,33,38);2*4-14,17-19,21H,1-3H3,(H,33,37)/t3*21-/m000/s1.

What are the key properties of 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1513.81 g/mol, XLogP of 17.04, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzofuran-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-1-benzothiophen-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[(1S)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 157049430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).