1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea

C145H163N27O24S9 — CID 159105675

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc4c(o2)C2CCN(CC2)C4)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc4c(s2)C2CCN(CC2)C4)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc4n(n2)C2CCN(CC2)C4)CCC3)ccn1.COc1cc(-c2sc3c(c2NC(=O)NS(=O)(=O)c2cc4c(o2)C2CCN(CC2)C4)CCC3)ccn1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cn2c(n1)CN1CCC2CC1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1nc2c(s1)C1CCN(CC1)C2
InChIInChI=1S/C26H28N4O5S.C26H28N4O4S2.C25H28N6O4S.C24H26N4O5S2.C22H27N5O3S.C22H26N4O3S2/c2*1-34-22-13-18(7-10-27-22)21-6-5-16-3-2-4-20(16)24(21)28-26(31)29-36(32,33)23-14-19-15-30-11-8-17(9-12-30)25(19)35-23;1-35-22-13-17(7-10-26-22)21-6-5-16-3-2-4-20(16)24(21)27-25(32)29-36(33,34)23-14-19-15-30-11-8-18(9-12-30)31(19)28-23;1-32-19-11-15(5-8-25-19)23-21(17-3-2-4-18(17)34-23)26-24(29)27-35(30,31)20-12-16-13-28-9-6-14(7-10-28)22(16)33-20;28-22(24-21-17-5-1-3-14(17)11-15-4-2-6-18(15)21)25-31(29,30)20-13-27-16-7-9-26(10-8-16)12-19(27)23-20;27-21(24-19-16-5-1-3-14(16)11-15-4-2-6-17(15)19)25-31(28,29)22-23-18-12-26-9-7-13(8-10-26)20(18)30-22/h2*5-7,10,13-14,17H,2-4,8-9,11-12,15H2,1H3,(H2,28,29,31);5-7,10,13-14,18H,2-4,8-9,11-12,15H2,1H3,(H2,27,29,32);5,8,11-12,14H,2-4,6-7,9-10,13H2,1H3,(H2,26,27,29);11,13,16H,1-10,12H2,(H2,24,25,28);11,13H,1-10,12H2,(H2,24,25,27)
InChIKeyKDVSKJSPDWBTFR-UHFFFAOYSA-N
MW2956.67 g/mol
LogP21.61
Rot. Bonds26

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea (PubChem CID 159105675) has the molecular formula C145H163N27O24S9 and a molecular weight of 2956.67 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea
PubChem CID159105675
Molecular FormulaC145H163N27O24S9
Molecular Weight2956.67 g/mol
Exact Mass2953.99
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc4c(o2)C2CCN(CC2)C4)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc4c(s2)C2CCN(CC2)C4)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc4n(n2)C2CCN(CC2)C4)CCC3)ccn1.COc1cc(-c2sc3c(c2NC(=O)NS(=O)(=O)c2cc4c(o2)C2CCN(CC2)C4)CCC3)ccn1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cn2c(n1)CN1CCC2CC1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1nc2c(s1)C1CCN(CC1)C2
InChIInChI=1S/C26H28N4O5S.C26H28N4O4S2.C25H28N6O4S.C24H26N4O5S2.C22H27N5O3S.C22H26N4O3S2/c2*1-34-22-13-18(7-10-27-22)21-6-5-16-3-2-4-20(16)24(21)28-26(31)29-36(32,33)23-14-19-15-30-11-8-17(9-12-30)25(19)35-23;1-35-22-13-17(7-10-26-22)21-6-5-16-3-2-4-20(16)24(21)27-25(32)29-36(33,34)23-14-19-15-30-11-8-18(9-12-30)31(19)28-23;1-32-19-11-15(5-8-25-19)23-21(17-3-2-4-18(17)34-23)26-24(29)27-35(30,31)20-12-16-13-28-9-6-14(7-10-28)22(16)33-20;28-22(24-21-17-5-1-3-14(17)11-15-4-2-6-18(15)21)25-31(29,30)20-13-27-16-7-9-26(10-8-16)12-19(27)23-20;27-21(24-19-16-5-1-3-14(16)11-15-4-2-6-17(15)19)25-31(28,29)22-23-18-12-26-9-7-13(8-10-26)20(18)30-22/h2*5-7,10,13-14,17H,2-4,8-9,11-12,15H2,1H3,(H2,28,29,31);5-7,10,13-14,18H,2-4,8-9,11-12,15H2,1H3,(H2,27,29,32);5,8,11-12,14H,2-4,6-7,9-10,13H2,1H3,(H2,26,27,29);11,13,16H,1-10,12H2,(H2,24,25,28);11,13H,1-10,12H2,(H2,24,25,27)
InChIKeyKDVSKJSPDWBTFR-UHFFFAOYSA-N
XLogP21.61
TPSA634.35 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds26
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002956.67
LogP ≤ 521.61
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea
CID 157318570
1-[(3-cyclopropyl-3,4,8-triazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-[(3-cyclopropyl-3,4,8-triazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-5-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]propan-2-one;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea
CID 159300738
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(7-methyl-5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)-3-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 160454589
1-[5-(cyclobuten-1-yl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[(3-cyclopropyl-3,4,8-triazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-[(3-cyclopropyl-3,4,8-triazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-5-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]propan-2-one;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)-3-(5-prop-1-ynyl-2,3-dihydro-1H-inden-4-yl)urea
CID 161307976

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea (CID 159105675) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea is COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc4c(o2)C2CCN(CC2)C4)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc4c(s2)C2CCN(CC2)C4)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc4n(n2)C2CCN(CC2)C4)CCC3)ccn1.COc1cc(-c2sc3c(c2NC(=O)NS(=O)(=O)c2cc4c(o2)C2CCN(CC2)C4)CCC3)ccn1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cn2c(n1)CN1CCC2CC1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1nc2c(s1)C1CCN(CC1)C2.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea?
The InChIKey is KDVSKJSPDWBTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5S.C26H28N4O4S2.C25H28N6O4S.C24H26N4O5S2.C22H27N5O3S.C22H26N4O3S2/c2*1-34-22-13-18(7-10-27-22)21-6-5-16-3-2-4-20(16)24(21)28-26(31)29-36(32,33)23-14-19-15-30-11-8-17(9-12-30)25(19)35-23;1-35-22-13-17(7-10-26-22)21-6-5-16-3-2-4-20(16)24(21)27-25(32)29-36(33,34)23-14-19-15-30-11-8-18(9-12-30)31(19)28-23;1-32-19-11-15(5-8-25-19)23-21(17-3-2-4-18(17)34-23)26-24(29)27-35(30,31)20-12-16-13-28-9-6-14(7-10-28)22(16)33-20;28-22(24-21-17-5-1-3-14(17)11-15-4-2-6-18(15)21)25-31(29,30)20-13-27-16-7-9-26(10-8-16)12-19(27)23-20;27-21(24-19-16-5-1-3-14(16)11-15-4-2-6-17(15)19)25-31(28,29)22-23-18-12-26-9-7-13(8-10-26)20(18)30-22/h2*5-7,10,13-14,17H,2-4,8-9,11-12,15H2,1H3,(H2,28,29,31);5-7,10,13-14,18H,2-4,8-9,11-12,15H2,1H3,(H2,27,29,32);5,8,11-12,14H,2-4,6-7,9-10,13H2,1H3,(H2,26,27,29);11,13,16H,1-10,12H2,(H2,24,25,28);11,13H,1-10,12H2,(H2,24,25,27).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea has a molecular weight of 2956.67 g/mol, XLogP of 21.61, 26 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-thia-5,8-diazatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea;1-[2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(3-thia-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2,3,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-dien-4-ylsulfonyl)urea is sourced from PubChem (CID 159105675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).