4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C145H152N32O13 — CID 162013246

IUPAC4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCN1CCC2(CCN(Cc3cnc4oc5c(N6CCOCC6)nc(-c6cccc7[nH]ccc67)nc5c4c3)C2)C1.CN1CCC2(CCN(Cc3cnc4oc5c(N6CCOCC6)nc(-c6cccc7[nH]ccc67)nc5c4c3)CC2)C1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CC6CC[C@H](C5)O6)cc4c3n2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CCC6(CC5)COC6)cc4c3n2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5C[C@@H]6C[C@H]5CO6)cc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C31H35N7O2.C30H33N7O2.C29H30N6O3.C28H28N6O3.C27H26N6O3/c1-36-10-6-31(20-36)7-11-37(12-8-31)19-21-17-24-26-27(40-30(24)33-18-21)29(38-13-15-39-16-14-38)35-28(34-26)23-3-2-4-25-22(23)5-9-32-25;1-35-9-6-30(18-35)7-10-36(19-30)17-20-15-23-25-26(39-29(23)32-16-20)28(37-11-13-38-14-12-37)34-27(33-25)22-3-2-4-24-21(22)5-8-31-24;1-2-21(20-4-7-30-23(20)3-1)26-32-24-22-14-19(16-34-8-5-29(6-9-34)17-37-18-29)15-31-28(22)38-25(24)27(33-26)35-10-12-36-13-11-35;1-2-21(20-6-7-29-23(20)3-1)26-31-24-22-12-17(14-33-15-18-4-5-19(16-33)36-18)13-30-28(22)37-25(24)27(32-26)34-8-10-35-11-9-34;1-2-20(19-4-5-28-22(19)3-1)25-30-23-21-10-16(13-33-14-18-11-17(33)15-35-18)12-29-27(21)36-24(23)26(31-25)32-6-8-34-9-7-32/h2-5,9,17-18,32H,6-8,10-16,19-20H2,1H3;2-5,8,15-16,31H,6-7,9-14,17-19H2,1H3;1-4,7,14-15,30H,5-6,8-13,16-18H2;1-3,6-7,12-13,18-19,29H,4-5,8-11,14-16H2;1-5,10,12,17-18,28H,6-9,11,13-15H2/t;;;18-,19?;17-,18-/m...10/s1
InChIKeyYTTJPOXWXCJTBY-ORGSXNGSSA-N
MW2551.02 g/mol
LogP21.17
Rot. Bonds20

About 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 162013246) has the molecular formula C145H152N32O13 and a molecular weight of 2551.02 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID162013246
Molecular FormulaC145H152N32O13
Molecular Weight2551.02 g/mol
Exact Mass2549.22
IUPAC Name4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCN1CCC2(CCN(Cc3cnc4oc5c(N6CCOCC6)nc(-c6cccc7[nH]ccc67)nc5c4c3)C2)C1.CN1CCC2(CCN(Cc3cnc4oc5c(N6CCOCC6)nc(-c6cccc7[nH]ccc67)nc5c4c3)CC2)C1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CC6CC[C@H](C5)O6)cc4c3n2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CCC6(CC5)COC6)cc4c3n2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5C[C@@H]6C[C@H]5CO6)cc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C31H35N7O2.C30H33N7O2.C29H30N6O3.C28H28N6O3.C27H26N6O3/c1-36-10-6-31(20-36)7-11-37(12-8-31)19-21-17-24-26-27(40-30(24)33-18-21)29(38-13-15-39-16-14-38)35-28(34-26)23-3-2-4-25-22(23)5-9-32-25;1-35-9-6-30(18-35)7-10-36(19-30)17-20-15-23-25-26(39-29(23)32-16-20)28(37-11-13-38-14-12-37)34-27(33-25)22-3-2-4-24-21(22)5-8-31-24;1-2-21(20-4-7-30-23(20)3-1)26-32-24-22-14-19(16-34-8-5-29(6-9-34)17-37-18-29)15-31-28(22)38-25(24)27(33-26)35-10-12-36-13-11-35;1-2-21(20-6-7-29-23(20)3-1)26-31-24-22-12-17(14-33-15-18-4-5-19(16-33)36-18)13-30-28(22)37-25(24)27(32-26)34-8-10-35-11-9-34;1-2-20(19-4-5-28-22(19)3-1)25-30-23-21-10-16(13-33-14-18-11-17(33)15-35-18)12-29-27(21)36-24(23)26(31-25)32-6-8-34-9-7-32/h2-5,9,17-18,32H,6-8,10-16,19-20H2,1H3;2-5,8,15-16,31H,6-7,9-14,17-19H2,1H3;1-4,7,14-15,30H,5-6,8-13,16-18H2;1-3,6-7,12-13,18-19,29H,4-5,8-11,14-16H2;1-5,10,12,17-18,28H,6-9,11,13-15H2/t;;;18-,19?;17-,18-/m...10/s1
InChIKeyYTTJPOXWXCJTBY-ORGSXNGSSA-N
XLogP21.17
TPSA450.72 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002551.02
LogP ≤ 521.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Launch Full Analysis

Related Compounds

6-morpholin-4-yl-12-[[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-4-[2-(trifluoromethyl)-1H-indol-4-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135312778
4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(piperidin-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 50992383
(1S,4S)-5-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-2λ4-thia-5-azabicyclo[2.2.1]heptane 2-oxide
CID 126621100
4-(1H-indol-4-yl)-12-[(3-methoxypiperidin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123447331
4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide
CID 126621071
4-(1H-inden-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 134544234
2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane
CID 159400953
6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 175734829
4-[4-(1H-indol-4-yl)-12-(morpholin-4-ylmethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine
CID 66927629
4-[(1S)-1-[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]ethyl]-1,4-thiazinane 1,1-dioxide
CID 126620989
4-[[4-(6-chloro-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide
CID 126621042
4-[[4-(5-methoxy-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide
CID 126621049

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 162013246) is 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CN1CCC2(CCN(Cc3cnc4oc5c(N6CCOCC6)nc(-c6cccc7[nH]ccc67)nc5c4c3)C2)C1.CN1CCC2(CCN(Cc3cnc4oc5c(N6CCOCC6)nc(-c6cccc7[nH]ccc67)nc5c4c3)CC2)C1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CC6CC[C@H](C5)O6)cc4c3n2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CCC6(CC5)COC6)cc4c3n2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5C[C@@H]6C[C@H]5CO6)cc4c3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is YTTJPOXWXCJTBY-ORGSXNGSSA-N. The full InChI is InChI=1S/C31H35N7O2.C30H33N7O2.C29H30N6O3.C28H28N6O3.C27H26N6O3/c1-36-10-6-31(20-36)7-11-37(12-8-31)19-21-17-24-26-27(40-30(24)33-18-21)29(38-13-15-39-16-14-38)35-28(34-26)23-3-2-4-25-22(23)5-9-32-25;1-35-9-6-30(18-35)7-10-36(19-30)17-20-15-23-25-26(39-29(23)32-16-20)28(37-11-13-38-14-12-37)34-27(33-25)22-3-2-4-24-21(22)5-8-31-24;1-2-21(20-4-7-30-23(20)3-1)26-32-24-22-14-19(16-34-8-5-29(6-9-34)17-37-18-29)15-31-28(22)38-25(24)27(33-26)35-10-12-36-13-11-35;1-2-21(20-6-7-29-23(20)3-1)26-31-24-22-12-17(14-33-15-18-4-5-19(16-33)36-18)13-30-28(22)37-25(24)27(32-26)34-8-10-35-11-9-34;1-2-20(19-4-5-28-22(19)3-1)25-30-23-21-10-16(13-33-14-18-11-17(33)15-35-18)12-29-27(21)36-24(23)26(31-25)32-6-8-34-9-7-32/h2-5,9,17-18,32H,6-8,10-16,19-20H2,1H3;2-5,8,15-16,31H,6-7,9-14,17-19H2,1H3;1-4,7,14-15,30H,5-6,8-13,16-18H2;1-3,6-7,12-13,18-19,29H,4-5,8-11,14-16H2;1-5,10,12,17-18,28H,6-9,11,13-15H2/t;;;18-,19?;17-,18-/m...10/s1.
What are the key properties of 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 2551.02 g/mol, XLogP of 21.17, 20 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)-12-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-[[(5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 162013246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).