2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one

C128H182N16O12 — CID 157420840

IUPAC2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one
SMILESCCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2C)C1CCC(N(C)C)CC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.CCc1c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c(cnn2C)c1N(CC)C1CCC(N(C)CCOC)CC1.CCc1c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1
InChIInChI=1S/C33H46N4O3.C33H48N4O3.C32H46N4O4.C30H42N4O2/c1-7-26-28(31(38)14-13-27-22(4)15-21(3)16-32(27)39)17-30-29(18-34-35(30)5)33(26)37(8-2)24-11-9-23(10-12-24)36-19-25(20-36)40-6;1-8-26-28(31(38)15-14-27-23(4)18-22(3)19-32(27)39)20-30-29(21-34-36(30)6)33(26)37(9-2)25-12-10-24(11-13-25)35(5)16-17-40-7;1-8-36(24-11-9-23(10-12-24)34(4)15-16-39-6)32-22(3)26(19-28-27(32)20-33-35(28)5)29(37)14-13-25-30(38)17-21(2)18-31(25)40-7;1-8-34(23-11-9-22(10-12-23)32(5)6)30-21(4)25(17-27-26(30)18-31-33(27)7)28(35)14-13-24-20(3)15-19(2)16-29(24)36/h15,17-18,23-25H,7-14,16,19-20H2,1-6H3;18,20-21,24-25H,8-17,19H2,1-7H3;18-20,23-24H,8-17H2,1-7H3;15,17-18,22-23H,8-14,16H2,1-7H3
InChIKeyBPJPPTKYDZIZFO-UHFFFAOYSA-N
MW2136.96 g/mol
LogP23.01
Rot. Bonds42

About 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one

2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one (PubChem CID 157420840) has the molecular formula C128H182N16O12 and a molecular weight of 2136.96 g/mol. Its IUPAC name is 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one
PubChem CID157420840
Molecular FormulaC128H182N16O12
Molecular Weight2136.96 g/mol
Exact Mass2135.41
IUPAC Name2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one
SMILESCCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2C)C1CCC(N(C)C)CC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.CCc1c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c(cnn2C)c1N(CC)C1CCC(N(C)CCOC)CC1.CCc1c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1
InChIInChI=1S/C33H46N4O3.C33H48N4O3.C32H46N4O4.C30H42N4O2/c1-7-26-28(31(38)14-13-27-22(4)15-21(3)16-32(27)39)17-30-29(18-34-35(30)5)33(26)37(8-2)24-11-9-23(10-12-24)36-19-25(20-36)40-6;1-8-26-28(31(38)15-14-27-23(4)18-22(3)19-32(27)39)20-30-29(21-34-36(30)6)33(26)37(9-2)25-12-10-24(11-13-25)35(5)16-17-40-7;1-8-36(24-11-9-23(10-12-24)34(4)15-16-39-6)32-22(3)26(19-28-27(32)20-33-35(28)5)29(37)14-13-25-30(38)17-21(2)18-31(25)40-7;1-8-34(23-11-9-22(10-12-23)32(5)6)30-21(4)25(17-27-26(30)18-31-33(27)7)28(35)14-13-24-20(3)15-19(2)16-29(24)36/h15,17-18,23-25H,7-14,16,19-20H2,1-6H3;18,20-21,24-25H,8-17,19H2,1-7H3;18-20,23-24H,8-17H2,1-7H3;15,17-18,22-23H,8-14,16H2,1-7H3
InChIKeyBPJPPTKYDZIZFO-UHFFFAOYSA-N
XLogP23.01
TPSA270.68 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds42
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002136.96
LogP ≤ 523.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one?
The IUPAC name of 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one (CID 157420840) is 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one is CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2C)C1CCC(N(C)C)CC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2c1cnn2C)C1CCC(N(C)CCOC)CC1.CCc1c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c(cnn2C)c1N(CC)C1CCC(N(C)CCOC)CC1.CCc1c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1.
What is the InChIKey of 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one?
The InChIKey is BPJPPTKYDZIZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N4O3.C33H48N4O3.C32H46N4O4.C30H42N4O2/c1-7-26-28(31(38)14-13-27-22(4)15-21(3)16-32(27)39)17-30-29(18-34-35(30)5)33(26)37(8-2)24-11-9-23(10-12-24)36-19-25(20-36)40-6;1-8-26-28(31(38)15-14-27-23(4)18-22(3)19-32(27)39)20-30-29(21-34-36(30)6)33(26)37(9-2)25-12-10-24(11-13-25)35(5)16-17-40-7;1-8-36(24-11-9-23(10-12-24)34(4)15-16-39-6)32-22(3)26(19-28-27(32)20-33-35(28)5)29(37)14-13-25-30(38)17-21(2)18-31(25)40-7;1-8-34(23-11-9-22(10-12-23)32(5)6)30-21(4)25(17-27-26(30)18-31-33(27)7)28(35)14-13-24-20(3)15-19(2)16-29(24)36/h15,17-18,23-25H,7-14,16,19-20H2,1-6H3;18,20-21,24-25H,8-17,19H2,1-7H3;18-20,23-24H,8-17H2,1-7H3;15,17-18,22-23H,8-14,16H2,1-7H3.
What are the key properties of 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one?
2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one has a molecular weight of 2136.96 g/mol, XLogP of 23.01, 42 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[5-ethyl-4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1-methylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 157420840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).