4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane

C123H122F3N23O12 — CID 158245720

About 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane

4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane (PubChem CID 158245720) has the molecular formula C123H122F3N23O12 and a molecular weight of 2171.47 g/mol. Its IUPAC name is 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane.

Molecular Properties

• Compound Name: 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane
• PubChem CID: 158245720
• Molecular Formula: C123H122F3N23O12
• Molecular Weight: 2171.47 g/mol
• Exact Mass: 2169.96
• IUPAC Name: 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane
• SMILES: C.C.C.C.N#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)N1CCCCC1)C2.N#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)N1CCCCC1)C2.Nc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)N1CCCCC1)C2.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCCCC1)CC2
• InChI: InChI=1S/C30H26F3N5O3.2C30H26N6O3.C29H28N6O3.4CH4/c31-30(32,33)19-12-18-16-37(29(41)35-7-3-1-4-8-35)11-10-36-17-21(20(13-19)28(18)36)26-23(39)14-24(40)27(26)22-15-34-25-6-2-5-9-38(22)25;2*31-15-19-12-20-17-35(30(39)33-7-3-1-4-8-33)11-10-34-18-22(21(13-19)29(20)34)27-24(37)14-25(38)28(27)23-16-32-26-6-2-5-9-36(23)26;30-19-12-18-16-34(29(38)32-7-3-1-4-8-32)11-10-33-17-21(20(13-19)28(18)33)26-23(36)14-24(37)27(26)22-15-31-25-6-2-5-9-35(22)25;;;;/h2,5-6,9,12-13,15,17H,1,3-4,7-8,10-11,14,16H2;2*2,5-6,9,12-13,16,18H,1,3-4,7-8,10-11,14,17H2;2,5-6,9,12-13,15,17H,1,3-4,7-8,10-11,14,16,30H2;4*1H4
• InChIKey: GGCALECDOGZYDK-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 393.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 8
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2171.47
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane?

The IUPAC name of 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane (CID 158245720) is 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane.

What is the SMILES notation for 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane?

The canonical SMILES for 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane is C.C.C.C.N#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)N1CCCCC1)C2.N#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)N1CCCCC1)C2.Nc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)CC1=O)cn3CCN(C(=O)N1CCCCC1)C2.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCCCC1)CC2.

What is the InChIKey of 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane?

The InChIKey is GGCALECDOGZYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N5O3.2C30H26N6O3.C29H28N6O3.4CH4/c31-30(32,33)19-12-18-16-37(29(41)35-7-3-1-4-8-35)11-10-36-17-21(20(13-19)28(18)36)26-23(39)14-24(40)27(26)22-15-34-25-6-2-5-9-38(22)25;2*31-15-19-12-20-17-35(30(39)33-7-3-1-4-8-33)11-10-34-18-22(21(13-19)29(20)34)27-24(37)14-25(38)28(27)23-16-32-26-6-2-5-9-36(23)26;30-19-12-18-16-34(29(38)32-7-3-1-4-8-32)11-10-33-17-21(20(13-19)28(18)33)26-23(36)14-24(37)27(26)22-15-31-25-6-2-5-9-35(22)25;;;;/h2,5-6,9,12-13,15,17H,1,3-4,7-8,10-11,14,16H2;2*2,5-6,9,12-13,16,18H,1,3-4,7-8,10-11,14,17H2;2,5-6,9,12-13,15,17H,1,3-4,7-8,10-11,14,16,30H2;4*1H4.

What are the key properties of 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane?

4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane has a molecular weight of 2171.47 g/mol, XLogP of 19.54, 8 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-amino-10-(piperidine-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-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane is sourced from PubChem (CID 158245720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).