3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one

C127H123F13N22O9 — CID 157164061

About 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one

3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one (PubChem CID 157164061) has the molecular formula C127H123F13N22O9 and a molecular weight of 2348.50 g/mol. Its IUPAC name is 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one.

Molecular Properties

• Compound Name: 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
• PubChem CID: 157164061
• Molecular Formula: C127H123F13N22O9
• Molecular Weight: 2348.50 g/mol
• Exact Mass: 2346.96
• IUPAC Name: 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
• SMILES: CC1(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(C(F)(F)F)cc(c43)C2)CC(F)(F)O1.CN1CCC2(CC1)CCN(C(=O)N1CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C1)C2.CN1CCC2(CCN(C(=O)N3CCn4cc(C5=C(c6cnc7ccccn67)C(=O)CC5)c5cc(F)cc(c54)C3)CC2)C1.O=C1CCC(c2cn3c4c(cc(C(F)(F)F)cc24)CN(C(=O)N2CCCCC(F)(F)C2)CC3)=C1c1cnc2ccccn12
• InChI: InChI=1S/2C33H35FN6O2.C31H28F5N5O2.C30H25F6N5O3/c1-36-11-7-33(21-36)8-12-37(13-9-33)32(42)39-15-14-38-20-26(25-17-23(34)16-22(19-39)31(25)38)24-5-6-28(41)30(24)27-18-35-29-4-2-3-10-40(27)29;1-36-11-7-33(8-12-36)9-13-39(21-33)32(42)38-15-14-37-20-26(25-17-23(34)16-22(19-38)31(25)37)24-5-6-28(41)30(24)27-18-35-29-4-2-3-10-40(27)29;32-30(33)8-2-4-9-40(18-30)29(43)39-12-11-38-17-23(22-14-20(31(34,35)36)13-19(16-39)28(22)38)21-6-7-25(42)27(21)24-15-37-26-5-1-3-10-41(24)26;1-28(31)15-40(16-29(32,33)44-28)27(43)39-9-8-38-14-21(20-11-18(30(34,35)36)10-17(13-39)26(20)38)19-5-6-23(42)25(19)22-12-37-24-4-2-3-7-41(22)24/h2*2-4,10,16-18,20H,5-9,11-15,19,21H2,1H3;1,3,5,10,13-15,17H,2,4,6-9,11-12,16,18H2;2-4,7,10-12,14H,5-6,8-9,13,15-16H2,1H3
• InChIKey: AMRZFWKBNBUROQ-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 267.11 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2348.50
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?

The IUPAC name of 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one (CID 157164061) is 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one.

What is the SMILES notation for 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?

The canonical SMILES for 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one is CC1(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(C(F)(F)F)cc(c43)C2)CC(F)(F)O1.CN1CCC2(CC1)CCN(C(=O)N1CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C1)C2.CN1CCC2(CCN(C(=O)N3CCn4cc(C5=C(c6cnc7ccccn67)C(=O)CC5)c5cc(F)cc(c54)C3)CC2)C1.O=C1CCC(c2cn3c4c(cc(C(F)(F)F)cc24)CN(C(=O)N2CCCCC(F)(F)C2)CC3)=C1c1cnc2ccccn12.

What is the InChIKey of 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?

The InChIKey is AMRZFWKBNBUROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H35FN6O2.C31H28F5N5O2.C30H25F6N5O3/c1-36-11-7-33(21-36)8-12-37(13-9-33)32(42)39-15-14-38-20-26(25-17-23(34)16-22(19-39)31(25)38)24-5-6-28(41)30(24)27-18-35-29-4-2-3-10-40(27)29;1-36-11-7-33(8-12-36)9-13-39(21-33)32(42)38-15-14-37-20-26(25-17-23(34)16-22(19-38)31(25)37)24-5-6-28(41)30(24)27-18-35-29-4-2-3-10-40(27)29;32-30(33)8-2-4-9-40(18-30)29(43)39-12-11-38-17-23(22-14-20(31(34,35)36)13-19(16-39)28(22)38)21-6-7-25(42)27(21)24-15-37-26-5-1-3-10-41(24)26;1-28(31)15-40(16-29(32,33)44-28)27(43)39-9-8-38-14-21(20-11-18(30(34,35)36)10-17(13-39)26(20)38)19-5-6-23(42)25(19)22-12-37-24-4-2-3-7-41(22)24/h2*2-4,10,16-18,20H,5-9,11-15,19,21H2,1H3;1,3,5,10,13-15,17H,2,4,6-9,11-12,16,18H2;2-4,7,10-12,14H,5-6,8-9,13,15-16H2,1H3.

What are the key properties of 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?

3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one has a molecular weight of 2348.50 g/mol, XLogP of 22.88, 8 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-(3,3-difluoroazepane-1-carbonyl)-6-(trifluoromethyl)-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;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[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]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-imidazo[1,2-a]pyridin-3-yl-3-[6-(trifluoromethyl)-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 157164061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).