1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C165H155Cl3N36O14 — CID 158467938

IUPAC1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12.CCc1noc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC.CCc1onc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC.COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c12.COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(Cl)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C3CC3)c12
InChIInChI=1S/C24H25N5O2.C23H21N5O2.C22H22N6O.C22H21N5O2.C21H19N5O2.2C18H16ClN3O2.C17H15ClN4O/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24;1-11-20(12(2)30-28-11)15-8-18-14(9-19(15)29-3)21-17(26-18)6-7-24-23(21)16-10-25-27-22(16)13-4-5-13;1-10-19(11(2)26-25-10)15-8-17-14(9-18(15)29-5)21-16(24-17)6-7-23-22(21)20-12(3)27-28-13(20)4;1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22;1-10-15(9-23-25-10)21-20-13-8-18(27-4)14(19-11(2)26-28-12(19)3)7-17(13)24-16(20)5-6-22-21;1-4-14-16(9(2)22-24-14)11-7-13-10(8-15(11)23-3)17-12(21-13)5-6-20-18(17)19;1-4-12-16(9(2)24-22-12)11-7-14-10(8-15(11)23-3)17-13(21-14)5-6-20-18(17)19;1-8-15(9(2)22-21-8)11-6-13-10(7-14(11)23-3)16-12(20-13)4-5-19-17(16)18/h8-11,26H,6-7H2,1-5H3,(H,27,28);6-10,13,26H,4-5H2,1-3H3,(H,25,27);6-9,24H,1-5H3,(H,25,26)(H,27,28);6-9,24H,1-5H3,(H,25,26);5-9,24H,1-4H3,(H,23,25);2*5-8,21H,4H2,1-3H3;4-7,20H,1-3H3,(H,21,22)
InChIKeyHFZJQGKZFHHJNB-UHFFFAOYSA-N
MW2972.65 g/mol
LogP39.41
Rot. Bonds26

About 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158467938) has the molecular formula C165H155Cl3N36O14 and a molecular weight of 2972.65 g/mol. Its IUPAC name is 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID158467938
Molecular FormulaC165H155Cl3N36O14
Molecular Weight2972.65 g/mol
Exact Mass2969.16
IUPAC Name1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12.CCc1noc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC.CCc1onc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC.COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c12.COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(Cl)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C3CC3)c12
InChIInChI=1S/C24H25N5O2.C23H21N5O2.C22H22N6O.C22H21N5O2.C21H19N5O2.2C18H16ClN3O2.C17H15ClN4O/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24;1-11-20(12(2)30-28-11)15-8-18-14(9-19(15)29-3)21-17(26-18)6-7-24-23(21)16-10-25-27-22(16)13-4-5-13;1-10-19(11(2)26-25-10)15-8-17-14(9-18(15)29-5)21-16(24-17)6-7-23-22(21)20-12(3)27-28-13(20)4;1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22;1-10-15(9-23-25-10)21-20-13-8-18(27-4)14(19-11(2)26-28-12(19)3)7-17(13)24-16(20)5-6-22-21;1-4-14-16(9(2)22-24-14)11-7-13-10(8-15(11)23-3)17-12(21-13)5-6-20-18(17)19;1-4-12-16(9(2)24-22-12)11-7-14-10(8-15(11)23-3)17-13(21-14)5-6-20-18(17)19;1-8-15(9(2)22-21-8)11-6-13-10(7-14(11)23-3)16-12(20-13)4-5-19-17(16)18/h8-11,26H,6-7H2,1-5H3,(H,27,28);6-10,13,26H,4-5H2,1-3H3,(H,25,27);6-9,24H,1-5H3,(H,25,26)(H,27,28);6-9,24H,1-5H3,(H,25,26);5-9,24H,1-4H3,(H,23,25);2*5-8,21H,4H2,1-3H3;4-7,20H,1-3H3,(H,21,22)
InChIKeyHFZJQGKZFHHJNB-UHFFFAOYSA-N
XLogP39.41
TPSA660.22 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002972.65
LogP ≤ 539.41
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

1-(3-Cyclopropyl-5-Methyl-1h-Pyrazol-4-Yl)-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-8-Methoxy-5h-Pyrido[4,3-B]indole
CID 77846025
4-[8-methoxy-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78322399
4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90387575
4-[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90387666
4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90388486
4-[1-(5-ethyl-3-phenyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 122178997
US9675697, Cpd. No. 352
CID 123740373
US9675697, Cpd. No. 25
CID 90388155
4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78323350
4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78323351
4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90387464
4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 90395618

Frequently Asked Questions

What is the IUPAC name of 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 158467938) is 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12.CCc1noc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC.CCc1onc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC.COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c12.COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(Cl)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C3CC3)c12.
What is the InChIKey of 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HFZJQGKZFHHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C23H21N5O2.C22H22N6O.C22H21N5O2.C21H19N5O2.2C18H16ClN3O2.C17H15ClN4O/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24;1-11-20(12(2)30-28-11)15-8-18-14(9-19(15)29-3)21-17(26-18)6-7-24-23(21)16-10-25-27-22(16)13-4-5-13;1-10-19(11(2)26-25-10)15-8-17-14(9-18(15)29-5)21-16(24-17)6-7-23-22(21)20-12(3)27-28-13(20)4;1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22;1-10-15(9-23-25-10)21-20-13-8-18(27-4)14(19-11(2)26-28-12(19)3)7-17(13)24-16(20)5-6-22-21;1-4-14-16(9(2)22-24-14)11-7-13-10(8-15(11)23-3)17-12(21-13)5-6-20-18(17)19;1-4-12-16(9(2)24-22-12)11-7-14-10(8-15(11)23-3)17-13(21-14)5-6-20-18(17)19;1-8-15(9(2)22-21-8)11-6-13-10(7-14(11)23-3)16-12(20-13)4-5-19-17(16)18/h8-11,26H,6-7H2,1-5H3,(H,27,28);6-10,13,26H,4-5H2,1-3H3,(H,25,27);6-9,24H,1-5H3,(H,25,26)(H,27,28);6-9,24H,1-5H3,(H,25,26);5-9,24H,1-4H3,(H,23,25);2*5-8,21H,4H2,1-3H3;4-7,20H,1-3H3,(H,21,22).
What are the key properties of 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2972.65 g/mol, XLogP of 39.41, 26 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158467938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).