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;ethane

C28H27FN6OS — CID 145061510

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;ethane

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;ethane (PubChem CID 145061510) has the molecular formula C28H27FN6OS and a molecular weight of 514.63 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;ethane.

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;ethane
• PubChem CID: 145061510
• Molecular Formula: C28H27FN6OS
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.20
• 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;ethane
• SMILES: CC.Cn1cc(-c2nc3nccc(-c4ccc(CN5Cc6cc(C7CC7)sc6C5=O)c(F)c4)c3[nH]2)cn1
• InChI: InChI=1S/C26H21FN6OS.C2H6/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;1-2/h4-11,14H,2-3,12-13H2,1H3,(H,28,30,31);1-2H3
• InChIKey: SMLKZHCGUFPBHH-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	6.29
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;ethane?

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;ethane (CID 145061510) 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;ethane.

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;ethane?

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;ethane is CC.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;ethane?

The InChIKey is SMLKZHCGUFPBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6OS.C2H6/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;1-2/h4-11,14H,2-3,12-13H2,1H3,(H,28,30,31);1-2H3.

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;ethane?

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;ethane has a molecular weight of 514.63 g/mol, XLogP of 6.29, 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;ethane is sourced from PubChem (CID 145061510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).