4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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

C31H34FN7O2 — CID 135275090

IUPAC4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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
SMILESCN(C)CC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CNC4=O)c4cc(F)cc(c43)C2)CC1
InChIInChI=1S/C31H34FN7O2/c1-35(2)17-20-6-9-36(10-7-20)31(41)38-12-11-37-19-25(23-14-22(32)13-21(18-38)29(23)37)28-24(15-34-30(28)40)26-16-33-27-5-3-4-8-39(26)27/h3-5,8,13-14,16,19-20H,6-7,9-12,15,17-18H2,1-2H3,(H,34,40)
InChIKeyZZGANFSOHPDZDT-UHFFFAOYSA-N
MW555.66 g/mol
LogP3.68
Rot. Bonds4

About 4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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 135275090) has the molecular formula C31H34FN7O2 and a molecular weight of 555.66 g/mol. Its IUPAC name is 4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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 CID135275090
Molecular FormulaC31H34FN7O2
Molecular Weight555.66 g/mol
Exact Mass555.28
IUPAC Name4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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
SMILESCN(C)CC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CNC4=O)c4cc(F)cc(c43)C2)CC1
InChIInChI=1S/C31H34FN7O2/c1-35(2)17-20-6-9-36(10-7-20)31(41)38-12-11-37-19-25(23-14-22(32)13-21(18-38)29(23)37)28-24(15-34-30(28)40)26-16-33-27-5-3-4-8-39(26)27/h3-5,8,13-14,16,19-20H,6-7,9-12,15,17-18H2,1-2H3,(H,34,40)
InChIKeyZZGANFSOHPDZDT-UHFFFAOYSA-N
XLogP3.68
TPSA78.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.66
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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 135275090) is 4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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 CN(C)CC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CNC4=O)c4cc(F)cc(c43)C2)CC1.
What is the InChIKey of 4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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 ZZGANFSOHPDZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN7O2/c1-35(2)17-20-6-9-36(10-7-20)31(41)38-12-11-37-19-25(23-14-22(32)13-21(18-38)29(23)37)28-24(15-34-30(28)40)26-16-33-27-5-3-4-8-39(26)27/h3-5,8,13-14,16,19-20H,6-7,9-12,15,17-18H2,1-2H3,(H,34,40).
What are the key properties of 4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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 555.66 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-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 135275090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).