2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one

C26H21FN6OS — CID 121249703

About 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one

2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one (PubChem CID 121249703) has the molecular formula C26H21FN6OS and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one
• PubChem CID: 121249703
• Molecular Formula: C26H21FN6OS
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.15
• IUPAC Name: 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one
• SMILES: Cn1cc(-c2nc3nccc(-c4ccc(CN5Cc6cc(C7CC7)sc6C5=O)c(F)c4)c3[nH]2)cn1
• InChI: InChI=1S/C26H21FN6OS/c1-32-11-18(10-29-32)24-30-22-19(6-7-28-25(22)31-24)15-4-5-16(20(27)8-15)12-33-13-17-9-21(14-2-3-14)35-23(17)26(33)34/h4-11,14H,2-3,12-13H2,1H3,(H,28,30,31)
• InChIKey: HWLZTUUERLUDJK-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one?

The IUPAC name of 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one (CID 121249703) is 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one.

What is the SMILES notation for 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one?

The canonical SMILES for 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one is Cn1cc(-c2nc3nccc(-c4ccc(CN5Cc6cc(C7CC7)sc6C5=O)c(F)c4)c3[nH]2)cn1.

What is the InChIKey of 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one?

The InChIKey is HWLZTUUERLUDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6OS/c1-32-11-18(10-29-32)24-30-22-19(6-7-28-25(22)31-24)15-4-5-16(20(27)8-15)12-33-13-17-9-21(14-2-3-14)35-23(17)26(33)34/h4-11,14H,2-3,12-13H2,1H3,(H,28,30,31).

What are the key properties of 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one?

2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one has a molecular weight of 484.56 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-5-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 121249703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).