4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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

C129H126F14N22O14 — CID 162023124

IUPAC4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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
SMILESC.C.C.C.CN1CCC2(CC1)CCN(C(=O)N1CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4=O)c4cc(F)cc(c43)C1)C2.CN1CCC2(CCN(C(=O)N3CCn4cc(C5=C(c6cnc7ccccn67)C(=O)CC5=O)c5cc(F)cc(c54)C3)CC2)C1.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CC(F)(F)OC(F)(F)C1)CC2.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCOCC(F)(F)C1)CC2
InChIInChI=1S/2C33H33FN6O3.C30H24F5N5O4.C29H20F7N5O4.4CH4/c1-36-9-5-33(20-36)6-10-37(11-7-33)32(43)39-13-12-38-19-24(23-15-22(34)14-21(18-39)31(23)38)29-26(41)16-27(42)30(29)25-17-35-28-4-2-3-8-40(25)28;1-36-9-5-33(6-10-36)7-11-39(20-33)32(43)38-13-12-37-19-24(23-15-22(34)14-21(18-38)31(23)37)29-26(41)16-27(42)30(29)25-17-35-28-4-2-3-8-40(25)28;31-29(32)15-39(7-8-44-16-29)28(43)38-6-5-37-14-20(19-10-18(30(33,34)35)9-17(13-38)27(19)37)25-22(41)11-23(42)26(25)21-12-36-24-3-1-2-4-40(21)24;30-27(31)13-40(14-28(32,33)45-27)26(44)39-6-5-38-12-18(17-8-16(29(34,35)36)7-15(11-39)25(17)38)23-20(42)9-21(43)24(23)19-10-37-22-3-1-2-4-41(19)22;;;;/h2*2-4,8,14-15,17,19H,5-7,9-13,16,18,20H2,1H3;1-4,9-10,12,14H,5-8,11,13,15-16H2;1-4,7-8,10,12H,5-6,9,11,13-14H2;4*1H4
InChIKeyYUZWBCBHJGZALH-UHFFFAOYSA-N
MW2474.54 g/mol
LogP20.89
Rot. Bonds8

About 4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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 162023124) has the molecular formula C129H126F14N22O14 and a molecular weight of 2474.54 g/mol. Its IUPAC name is 4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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 Name4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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 CID162023124
Molecular FormulaC129H126F14N22O14
Molecular Weight2474.54 g/mol
Exact Mass2472.96
IUPAC Name4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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
SMILESC.C.C.C.CN1CCC2(CC1)CCN(C(=O)N1CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4=O)c4cc(F)cc(c43)C1)C2.CN1CCC2(CCN(C(=O)N3CCn4cc(C5=C(c6cnc7ccccn67)C(=O)CC5=O)c5cc(F)cc(c54)C3)CC2)C1.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CC(F)(F)OC(F)(F)C1)CC2.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCOCC(F)(F)C1)CC2
InChIInChI=1S/2C33H33FN6O3.C30H24F5N5O4.C29H20F7N5O4.4CH4/c1-36-9-5-33(20-36)6-10-37(11-7-33)32(43)39-13-12-38-19-24(23-15-22(34)14-21(18-39)31(23)38)29-26(41)16-27(42)30(29)25-17-35-28-4-2-3-8-40(25)28;1-36-9-5-33(6-10-36)7-11-39(20-33)32(43)38-13-12-37-19-24(23-15-22(34)14-21(18-38)31(23)37)29-26(41)16-27(42)30(29)25-17-35-28-4-2-3-8-40(25)28;31-29(32)15-39(7-8-44-16-29)28(43)38-6-5-37-14-20(19-10-18(30(33,34)35)9-17(13-38)27(19)37)25-22(41)11-23(42)26(25)21-12-36-24-3-1-2-4-40(21)24;30-27(31)13-40(14-28(32,33)45-27)26(44)39-6-5-38-12-18(17-8-16(29(34,35)36)7-15(11-39)25(17)38)23-20(42)9-21(43)24(23)19-10-37-22-3-1-2-4-41(19)22;;;;/h2*2-4,8,14-15,17,19H,5-7,9-13,16,18,20H2,1H3;1-4,9-10,12,14H,5-8,11,13,15-16H2;1-4,7-8,10,12H,5-6,9,11,13-14H2;4*1H4
InChIKeyYUZWBCBHJGZALH-UHFFFAOYSA-N
XLogP20.89
TPSA344.62 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds8
Heavy Atoms179
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002474.54
LogP ≤ 520.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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 162023124) is 4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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.CN1CCC2(CC1)CCN(C(=O)N1CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4=O)c4cc(F)cc(c43)C1)C2.CN1CCC2(CCN(C(=O)N3CCn4cc(C5=C(c6cnc7ccccn67)C(=O)CC5=O)c5cc(F)cc(c54)C3)CC2)C1.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CC(F)(F)OC(F)(F)C1)CC2.O=C1CC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCOCC(F)(F)C1)CC2.
What is the InChIKey of 4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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 YUZWBCBHJGZALH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H33FN6O3.C30H24F5N5O4.C29H20F7N5O4.4CH4/c1-36-9-5-33(20-36)6-10-37(11-7-33)32(43)39-13-12-38-19-24(23-15-22(34)14-21(18-39)31(23)38)29-26(41)16-27(42)30(29)25-17-35-28-4-2-3-8-40(25)28;1-36-9-5-33(6-10-36)7-11-39(20-33)32(43)38-13-12-37-19-24(23-15-22(34)14-21(18-38)31(23)37)29-26(41)16-27(42)30(29)25-17-35-28-4-2-3-8-40(25)28;31-29(32)15-39(7-8-44-16-29)28(43)38-6-5-37-14-20(19-10-18(30(33,34)35)9-17(13-38)27(19)37)25-22(41)11-23(42)26(25)21-12-36-24-3-1-2-4-40(21)24;30-27(31)13-40(14-28(32,33)45-27)26(44)39-6-5-38-12-18(17-8-16(29(34,35)36)7-15(11-39)25(17)38)23-20(42)9-21(43)24(23)19-10-37-22-3-1-2-4-41(19)22;;;;/h2*2-4,8,14-15,17,19H,5-7,9-13,16,18,20H2,1H3;1-4,9-10,12,14H,5-8,11,13,15-16H2;1-4,7-8,10,12H,5-6,9,11,13-14H2;4*1H4.
What are the key properties of 4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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 2474.54 g/mol, XLogP of 20.89, 8 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-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;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]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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;4-imidazo[1,2-a]pyridin-3-yl-5-[10-(2,2,6,6-tetrafluoromorpholine-4-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 162023124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).