2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene

C160H200Cl4F2N26O8 — CID 163709343

IUPAC2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene
SMILESCC(C)c1cc2[nH]c3c(c2nc1Cl)C(C)CCC3.CC(C)c1cc2c(cc3n2CCOC3)nc1Cl.CC(C)c1cc2cc3n(c2nc1Cl)CCOC3.CC(C)c1cc2nc3n(c2nc1Cl)CCOC3.CC(C)c1ccnc2c1C(F)(F)CC1CCCN21.CC(C)c1ccnc2c1CCC1CCCN21.CC(C)c1ccnc2c1CCN1C(=O)CCC21.CC(C)c1ccnc2c1CCN1CCCC21.CC(C)c1ccnc2c1cc1n2CCOC1.CC(C)c1ccnc2c3c(oc12)COCC3.CC(C)c1ccnc2nc3c(nc12)CCC3.CC(C)c1cnc2c(c1)nc1n2CCOC1
InChIInChI=1S/C15H19ClN2.C14H18F2N2.C14H18N2O.2C14H20N2.2C13H15ClN2O.C13H15N3.C13H16N2O.C13H15NO2.C12H14ClN3O.C12H15N3O/c1-8(2)10-7-12-14(18-15(10)16)13-9(3)5-4-6-11(13)17-12;1-9(2)11-5-6-17-13-12(11)14(15,16)8-10-4-3-7-18(10)13;1-9(2)10-5-7-15-14-11(10)6-8-16-12(14)3-4-13(16)17;1-10(2)11-5-7-15-14-12(11)6-9-16-8-3-4-13(14)16;1-10(2)12-7-8-15-14-13(12)6-5-11-4-3-9-16(11)14;1-8(2)10-6-12-11(15-13(10)14)5-9-7-17-4-3-16(9)12;1-8(2)11-6-9-5-10-7-17-4-3-16(10)13(9)15-12(11)14;1-8(2)9-6-7-14-13-12(9)15-10-4-3-5-11(10)16-13;1-9(2)11-3-4-14-13-12(11)7-10-8-16-6-5-15(10)13;1-8(2)9-3-5-14-12-10-4-6-15-7-11(10)16-13(9)12;1-7(2)8-5-9-12(15-11(8)13)16-3-4-17-6-10(16)14-9;1-8(2)9-5-10-12(13-6-9)15-3-4-16-7-11(15)14-10/h7-9,17H,4-6H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;5,7,9,12H,3-4,6,8H2,1-2H3;5,7,10,13H,3-4,6,8-9H2,1-2H3;7-8,10-11H,3-6,9H2,1-2H3;2*5-6,8H,3-4,7H2,1-2H3;6-8H,3-5H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3,5,8H,4,6-7H2,1-2H3;5,7H,3-4,6H2,1-2H3;5-6,8H,3-4,7H2,1-2H3
InChIKeyKHUXVLLEXKMUSS-UHFFFAOYSA-N
MW2795.34 g/mol
LogP36.75
Rot. Bonds12

About 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene

2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene (PubChem CID 163709343) has the molecular formula C160H200Cl4F2N26O8 and a molecular weight of 2795.34 g/mol. Its IUPAC name is 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene.

Molecular Properties

Compound Name2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene
PubChem CID163709343
Molecular FormulaC160H200Cl4F2N26O8
Molecular Weight2795.34 g/mol
Exact Mass2791.48
IUPAC Name2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene
SMILESCC(C)c1cc2[nH]c3c(c2nc1Cl)C(C)CCC3.CC(C)c1cc2c(cc3n2CCOC3)nc1Cl.CC(C)c1cc2cc3n(c2nc1Cl)CCOC3.CC(C)c1cc2nc3n(c2nc1Cl)CCOC3.CC(C)c1ccnc2c1C(F)(F)CC1CCCN21.CC(C)c1ccnc2c1CCC1CCCN21.CC(C)c1ccnc2c1CCN1C(=O)CCC21.CC(C)c1ccnc2c1CCN1CCCC21.CC(C)c1ccnc2c1cc1n2CCOC1.CC(C)c1ccnc2c3c(oc12)COCC3.CC(C)c1ccnc2nc3c(nc12)CCC3.CC(C)c1cnc2c(c1)nc1n2CCOC1
InChIInChI=1S/C15H19ClN2.C14H18F2N2.C14H18N2O.2C14H20N2.2C13H15ClN2O.C13H15N3.C13H16N2O.C13H15NO2.C12H14ClN3O.C12H15N3O/c1-8(2)10-7-12-14(18-15(10)16)13-9(3)5-4-6-11(13)17-12;1-9(2)11-5-6-17-13-12(11)14(15,16)8-10-4-3-7-18(10)13;1-9(2)10-5-7-15-14-11(10)6-8-16-12(14)3-4-13(16)17;1-10(2)11-5-7-15-14-12(11)6-9-16-8-3-4-13(14)16;1-10(2)12-7-8-15-14-13(12)6-5-11-4-3-9-16(11)14;1-8(2)10-6-12-11(15-13(10)14)5-9-7-17-4-3-16(9)12;1-8(2)11-6-9-5-10-7-17-4-3-16(10)13(9)15-12(11)14;1-8(2)9-6-7-14-13-12(9)15-10-4-3-5-11(10)16-13;1-9(2)11-3-4-14-13-12(11)7-10-8-16-6-5-15(10)13;1-8(2)9-3-5-14-12-10-4-6-15-7-11(10)16-13(9)12;1-7(2)8-5-9-12(15-11(8)13)16-3-4-17-6-10(16)14-9;1-8(2)9-5-10-12(13-6-9)15-3-4-16-7-11(15)14-10/h7-9,17H,4-6H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;5,7,9,12H,3-4,6,8H2,1-2H3;5,7,10,13H,3-4,6,8-9H2,1-2H3;7-8,10-11H,3-6,9H2,1-2H3;2*5-6,8H,3-4,7H2,1-2H3;6-8H,3-5H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3,5,8H,4,6-7H2,1-2H3;5,7H,3-4,6H2,1-2H3;5-6,8H,3-4,7H2,1-2H3
InChIKeyKHUXVLLEXKMUSS-UHFFFAOYSA-N
XLogP36.75
TPSA345.23 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds12
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002795.34
LogP ≤ 536.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene?
The IUPAC name of 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene (CID 163709343) is 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene.
What is the SMILES notation for 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene?
The canonical SMILES for 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene is CC(C)c1cc2[nH]c3c(c2nc1Cl)C(C)CCC3.CC(C)c1cc2c(cc3n2CCOC3)nc1Cl.CC(C)c1cc2cc3n(c2nc1Cl)CCOC3.CC(C)c1cc2nc3n(c2nc1Cl)CCOC3.CC(C)c1ccnc2c1C(F)(F)CC1CCCN21.CC(C)c1ccnc2c1CCC1CCCN21.CC(C)c1ccnc2c1CCN1C(=O)CCC21.CC(C)c1ccnc2c1CCN1CCCC21.CC(C)c1ccnc2c1cc1n2CCOC1.CC(C)c1ccnc2c3c(oc12)COCC3.CC(C)c1ccnc2nc3c(nc12)CCC3.CC(C)c1cnc2c(c1)nc1n2CCOC1.
What is the InChIKey of 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene?
The InChIKey is KHUXVLLEXKMUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2.C14H18F2N2.C14H18N2O.2C14H20N2.2C13H15ClN2O.C13H15N3.C13H16N2O.C13H15NO2.C12H14ClN3O.C12H15N3O/c1-8(2)10-7-12-14(18-15(10)16)13-9(3)5-4-6-11(13)17-12;1-9(2)11-5-6-17-13-12(11)14(15,16)8-10-4-3-7-18(10)13;1-9(2)10-5-7-15-14-11(10)6-8-16-12(14)3-4-13(16)17;1-10(2)11-5-7-15-14-12(11)6-9-16-8-3-4-13(14)16;1-10(2)12-7-8-15-14-13(12)6-5-11-4-3-9-16(11)14;1-8(2)10-6-12-11(15-13(10)14)5-9-7-17-4-3-16(9)12;1-8(2)11-6-9-5-10-7-17-4-3-16(10)13(9)15-12(11)14;1-8(2)9-6-7-14-13-12(9)15-10-4-3-5-11(10)16-13;1-9(2)11-3-4-14-13-12(11)7-10-8-16-6-5-15(10)13;1-8(2)9-3-5-14-12-10-4-6-15-7-11(10)16-13(9)12;1-7(2)8-5-9-12(15-11(8)13)16-3-4-17-6-10(16)14-9;1-8(2)9-5-10-12(13-6-9)15-3-4-16-7-11(15)14-10/h7-9,17H,4-6H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;5,7,9,12H,3-4,6,8H2,1-2H3;5,7,10,13H,3-4,6,8-9H2,1-2H3;7-8,10-11H,3-6,9H2,1-2H3;2*5-6,8H,3-4,7H2,1-2H3;6-8H,3-5H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3,5,8H,4,6-7H2,1-2H3;5,7H,3-4,6H2,1-2H3;5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene?
2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene has a molecular weight of 2795.34 g/mol, XLogP of 36.75, 12 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole;4-chloro-5-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-chloro-4-propan-2-yl-11-oxa-1,6-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;4-chloro-5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;5,5-difluoro-4-propan-2-yl-6a,7,8,9-tetrahydro-6H-pyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine;4-propan-2-yl-5,6,8,9,10,10a-hexahydropyrrolo[1,2-h][1,7]naphthyridine;4-propan-2-yl-6,9,10,10a-tetrahydro-5H-pyrrolo[1,2-h][1,7]naphthyridin-8-one;6-propan-2-yl-8,11-dioxa-3-azatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;6-propan-2-yl-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene;5-propan-2-yl-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene;13-propan-2-yl-2,8,10-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene is sourced from PubChem (CID 163709343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).