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

C32H34FN7O2 — CID 135275106

IUPAC4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESCN1CCC2(CCN(C(=O)N3CCn4cc(C5=C(c6cnc7ccccn67)CNC5=O)c5cc(F)cc(c54)C3)CC2)C1
InChIInChI=1S/C32H34FN7O2/c1-36-9-5-32(20-36)6-10-37(11-7-32)31(42)39-13-12-38-19-25(23-15-22(33)14-21(18-39)29(23)38)28-24(16-35-30(28)41)26-17-34-27-4-2-3-8-40(26)27/h2-4,8,14-15,17,19H,5-7,9-13,16,18,20H2,1H3,(H,35,41)
InChIKeyXOUICCDDMCUWRH-UHFFFAOYSA-N
MW567.67 g/mol
LogP3.82
Rot. Bonds2

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

4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (PubChem CID 135275106) has the molecular formula C32H34FN7O2 and a molecular weight of 567.67 g/mol. Its IUPAC name is 4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
PubChem CID135275106
Molecular FormulaC32H34FN7O2
Molecular Weight567.67 g/mol
Exact Mass567.28
IUPAC Name4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESCN1CCC2(CCN(C(=O)N3CCn4cc(C5=C(c6cnc7ccccn67)CNC5=O)c5cc(F)cc(c54)C3)CC2)C1
InChIInChI=1S/C32H34FN7O2/c1-36-9-5-32(20-36)6-10-37(11-7-32)31(42)39-13-12-38-19-25(23-15-22(33)14-21(18-39)29(23)38)28-24(16-35-30(28)41)26-17-34-27-4-2-3-8-40(26)27/h2-4,8,14-15,17,19H,5-7,9-13,16,18,20H2,1H3,(H,35,41)
InChIKeyXOUICCDDMCUWRH-UHFFFAOYSA-N
XLogP3.82
TPSA78.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.67
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (CID 135275106) is 4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is CN1CCC2(CCN(C(=O)N3CCn4cc(C5=C(c6cnc7ccccn67)CNC5=O)c5cc(F)cc(c54)C3)CC2)C1.
What is the InChIKey of 4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The InChIKey is XOUICCDDMCUWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN7O2/c1-36-9-5-32(20-36)6-10-37(11-7-32)31(42)39-13-12-38-19-25(23-15-22(33)14-21(18-39)29(23)38)28-24(16-35-30(28)41)26-17-34-27-4-2-3-8-40(26)27/h2-4,8,14-15,17,19H,5-7,9-13,16,18,20H2,1H3,(H,35,41).
What are the key properties of 4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one has a molecular weight of 567.67 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135275106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).