About 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile (PubChem CID 157460043) has the molecular formula C118H110F6N26O8
and a molecular weight of 2134.34 g/mol. Its IUPAC name is 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile?
The IUPAC name of 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile (CID 157460043) is 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile.
What is the SMILES notation for 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile?
The canonical SMILES for 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile is CC1(F)CCCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(C#N)cc(c43)C2)C1.CC1(F)CCCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)C1.N#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)NCC1=O)cn3CCN(C(=O)N1CCCCC(F)(F)C1)C2.O=C1CNC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CC3CCC1C3)CC2.
What is the InChIKey of 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile?
The InChIKey is BTUUFBWULWHFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N7O2.C30H28FN7O2.C29H28F2N6O2.C29H27FN6O2/c31-30(32)6-2-4-7-38(18-30)29(41)37-10-9-36-17-22(21-12-19(13-33)11-20(16-37)28(21)36)26-24(40)15-35-27(26)23-14-34-25-5-1-3-8-39(23)25;1-30(31)6-4-7-37(18-30)29(40)36-10-9-35-17-22(21-12-19(13-32)11-20(16-36)28(21)35)26-24(39)15-34-27(26)23-14-33-25-5-2-3-8-38(23)25;1-29(31)6-4-7-36(17-29)28(39)35-10-9-34-16-21(20-12-19(30)11-18(15-35)27(20)34)25-23(38)14-33-26(25)22-13-32-24-5-2-3-8-37(22)24;30-19-10-18-15-34(29(38)36-14-17-4-5-20(36)9-17)8-7-33-16-22(21(11-19)28(18)33)26-24(37)13-32-27(26)23-12-31-25-3-1-2-6-35(23)25/h1,3,5,8,11-12,14,17,35H,2,4,6-7,9-10,15-16,18H2;2-3,5,8,11-12,14,17,34H,4,6-7,9-10,15-16,18H2,1H3;2-3,5,8,11-13,16,33H,4,6-7,9-10,14-15,17H2,1H3;1-3,6,10-12,16-17,20,32H,4-5,7-9,13-15H2.
What are the key properties of 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile?
4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile has a molecular weight of 2134.34 g/mol, XLogP of 16.34, 8 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;4-[6-fluoro-10-(3-fluoro-3-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(5-imidazo[1,2-a]pyridin-3-yl-3-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile is sourced from PubChem (CID 157460043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).