3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole

C25H19ClN4O2S — CID 158024991

About 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole

3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole (PubChem CID 158024991) has the molecular formula C25H19ClN4O2S and a molecular weight of 474.97 g/mol. Its IUPAC name is 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole.

Molecular Properties

• Compound Name: 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole
• PubChem CID: 158024991
• Molecular Formula: C25H19ClN4O2S
• Molecular Weight: 474.97 g/mol
• Exact Mass: 474.09
• IUPAC Name: 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole
• SMILES: Clc1cc2c(c(-c3ccnc4cc(-c5ccn[nH]5)sc34)c1)O[C@@H](c1onc3c1CCCC3)C2
• InChI: InChI=1S/C25H19ClN4O2S/c26-14-9-13-10-21(24-16-3-1-2-4-18(16)30-32-24)31-23(13)17(11-14)15-5-7-27-20-12-22(33-25(15)20)19-6-8-28-29-19/h5-9,11-12,21H,1-4,10H2,(H,28,29)/t21-/m1/s1
• InChIKey: FGMPKUUXQPRUBO-OAQYLSRUSA-N
• XLogP: 6.55
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.97
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole?

The IUPAC name of 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole (CID 158024991) is 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole.

What is the SMILES notation for 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole?

The canonical SMILES for 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole is Clc1cc2c(c(-c3ccnc4cc(-c5ccn[nH]5)sc34)c1)O[C@@H](c1onc3c1CCCC3)C2.

What is the InChIKey of 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole?

The InChIKey is FGMPKUUXQPRUBO-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H19ClN4O2S/c26-14-9-13-10-21(24-16-3-1-2-4-18(16)30-32-24)31-23(13)17(11-14)15-5-7-27-20-12-22(33-25(15)20)19-6-8-28-29-19/h5-9,11-12,21H,1-4,10H2,(H,28,29)/t21-/m1/s1.

What are the key properties of 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole?

3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole has a molecular weight of 474.97 g/mol, XLogP of 6.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole is sourced from PubChem (CID 158024991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).