4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one

C32H34FN7O3 — CID 146566034

About 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one

4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (PubChem CID 146566034) has the molecular formula C32H34FN7O3 and a molecular weight of 583.67 g/mol. Its IUPAC name is 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

• Compound Name: 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
• PubChem CID: 146566034
• Molecular Formula: C32H34FN7O3
• Molecular Weight: 583.67 g/mol
• Exact Mass: 583.27
• IUPAC Name: 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
• SMILES: CN1CCC2(CC1)CCN(C(=O)N1CCn3cc(C4=C(c5cnc6ccccn56)C(O)NC4=O)c4cc(F)cc(c43)C1)C2
• InChI: InChI=1S/C32H34FN7O3/c1-36-9-5-32(6-10-36)7-11-39(19-32)31(43)38-13-12-37-18-23(22-15-21(33)14-20(17-38)28(22)37)26-27(30(42)35-29(26)41)24-16-34-25-4-2-3-8-40(24)25/h2-4,8,14-16,18,30,42H,5-7,9-13,17,19H2,1H3,(H,35,41)
• InChIKey: HTAXBDJQFLQQPJ-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 98.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.67
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?

The IUPAC name of 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (CID 146566034) is 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.

What is the SMILES notation for 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?

The canonical SMILES for 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is CN1CCC2(CC1)CCN(C(=O)N1CCn3cc(C4=C(c5cnc6ccccn56)C(O)NC4=O)c4cc(F)cc(c43)C1)C2.

What is the InChIKey of 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?

The InChIKey is HTAXBDJQFLQQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN7O3/c1-36-9-5-32(6-10-36)7-11-39(19-32)31(43)38-13-12-37-18-23(22-15-21(33)14-20(17-38)28(22)37)26-27(30(42)35-29(26)41)24-16-34-25-4-2-3-8-40(24)25/h2-4,8,14-16,18,30,42H,5-7,9-13,17,19H2,1H3,(H,35,41).

What are the key properties of 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?

4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one has a molecular weight of 583.67 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 146566034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).