3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile

C123H114F5N23O8 — CID 157312080

About 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile

3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile (PubChem CID 157312080) has the molecular formula C123H114F5N23O8 and a molecular weight of 2137.41 g/mol. Its IUPAC name is 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile.

Molecular Properties

• Compound Name: 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
• PubChem CID: 157312080
• Molecular Formula: C123H114F5N23O8
• Molecular Weight: 2137.41 g/mol
• Exact Mass: 2135.91
• IUPAC Name: 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
• SMILES: CC1(F)CCCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(C#N)cc(c43)C2)C1.CC1(F)CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(C#N)cc(c43)C2)CC1.N#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1)cn3CCN(C(=O)N1CCCCC(F)(F)C1)C2.O=C1CCC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CC4CCC2C4)CC3)=C1c1cnc2ccccn12
• InChI: InChI=1S/C31H28F2N6O2.2C31H29FN6O2.C30H28FN5O2/c32-31(33)8-2-4-9-38(19-31)30(41)37-12-11-36-18-24(23-14-20(15-34)13-21(17-37)29(23)36)22-6-7-26(40)28(22)25-16-35-27-5-1-3-10-39(25)27;1-31(32)8-4-9-37(19-31)30(40)36-12-11-35-18-24(23-14-20(15-33)13-21(17-36)29(23)35)22-6-7-26(39)28(22)25-16-34-27-5-2-3-10-38(25)27;1-31(32)7-10-35(11-8-31)30(40)37-13-12-36-19-24(23-15-20(16-33)14-21(18-37)29(23)36)22-5-6-26(39)28(22)25-17-34-27-4-2-3-9-38(25)27;31-20-12-19-16-34(30(38)36-15-18-4-5-21(36)11-18)10-9-33-17-24(23(13-20)29(19)33)22-6-7-26(37)28(22)25-14-32-27-3-1-2-8-35(25)27/h1,3,5,10,13-14,16,18H,2,4,6-9,11-12,17,19H2;2-3,5,10,13-14,16,18H,4,6-9,11-12,17,19H2,1H3;2-4,9,14-15,17,19H,5-8,10-13,18H2,1H3;1-3,8,12-14,17-18,21H,4-7,9-11,15-16H2
• InChIKey: BDDPKXVEJZIXJY-UHFFFAOYSA-N
• XLogP: 21.00
• TPSA: 322.77 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.41
LogP ≤ 5	21.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile?

The IUPAC name of 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile (CID 157312080) is 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile.

What is the SMILES notation for 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile?

The canonical SMILES for 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-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)C(=O)CC4)c4cc(C#N)cc(c43)C2)C1.CC1(F)CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(C#N)cc(c43)C2)CC1.N#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1)cn3CCN(C(=O)N1CCCCC(F)(F)C1)C2.O=C1CCC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CC4CCC2C4)CC3)=C1c1cnc2ccccn12.

What is the InChIKey of 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile?

The InChIKey is BDDPKXVEJZIXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O2.2C31H29FN6O2.C30H28FN5O2/c32-31(33)8-2-4-9-38(19-31)30(41)37-12-11-36-18-24(23-14-20(15-34)13-21(17-37)29(23)36)22-6-7-26(40)28(22)25-16-35-27-5-1-3-10-39(25)27;1-31(32)8-4-9-37(19-31)30(40)36-12-11-35-18-24(23-14-20(15-33)13-21(17-36)29(23)35)22-6-7-26(39)28(22)25-16-34-27-5-2-3-10-38(25)27;1-31(32)7-10-35(11-8-31)30(40)37-13-12-36-19-24(23-15-20(16-33)14-21(18-37)29(23)36)22-5-6-26(39)28(22)25-17-34-27-4-2-3-9-38(25)27;31-20-12-19-16-34(30(38)36-15-18-4-5-21(36)11-18)10-9-33-17-24(23(13-20)29(19)33)22-6-7-26(37)28(22)25-14-32-27-3-1-2-8-35(25)27/h1,3,5,10,13-14,16,18H,2,4,6-9,11-12,17,19H2;2-3,5,10,13-14,16,18H,4,6-9,11-12,17,19H2,1H3;2-4,9,14-15,17,19H,5-8,10-13,18H2,1H3;1-3,8,12-14,17-18,21H,4-7,9-11,15-16H2.

What are the key properties of 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile?

3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile has a molecular weight of 2137.41 g/mol, XLogP of 21.00, 8 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;10-(3,3-difluoroazepane-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;10-(4-fluoro-4-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile is sourced from PubChem (CID 157312080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).