N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide

C27H23N3O3S — CID 44815962

About N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 44815962) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
• PubChem CID: 44815962
• Molecular Formula: C27H23N3O3S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.15
• IUPAC Name: N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
• SMILES: COc1cc(-c2ccccc2)cn2ncc(-c3csc(C(=O)N[C@H](CO)c4ccccc4)c3)c12
• InChI: InChI=1S/C27H23N3O3S/c1-33-24-12-20(18-8-4-2-5-9-18)15-30-26(24)22(14-28-30)21-13-25(34-17-21)27(32)29-23(16-31)19-10-6-3-7-11-19/h2-15,17,23,31H,16H2,1H3,(H,29,32)/t23-/m1/s1
• InChIKey: QSVGYMNHXVCOPO-HSZRJFAPSA-N
• XLogP: 5.20
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?

The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide (CID 44815962) is N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?

The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide is COc1cc(-c2ccccc2)cn2ncc(-c3csc(C(=O)N[C@H](CO)c4ccccc4)c3)c12.

What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?

The InChIKey is QSVGYMNHXVCOPO-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H23N3O3S/c1-33-24-12-20(18-8-4-2-5-9-18)15-30-26(24)22(14-28-30)21-13-25(34-17-21)27(32)29-23(16-31)19-10-6-3-7-11-19/h2-15,17,23,31H,16H2,1H3,(H,29,32)/t23-/m1/s1.

What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?

N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 44815962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).